SCHEMBL634686

SCHEMBL634686

O=C(O)CN1CCCC[C@@H]1c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
OGFRL1 Q5TC84 4/20 0.44
OPRL1 P41146 3/20 0.44
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
LTA4H P09960 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PDE5A O76074 1/20 0.40
ROCK2 O75116 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CHRM2 P08172 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27839561 1.00 RIPK1 (0.45) RIPK1KDM4EGAAALDH1A1MEN1
SCHEMBL24672521 0.82 SIGMAR1 (0.43) RIPK1ALDH1A1SMN1; SMN2
SCHEMBL6092369 0.81 KDM4E (0.58) RIPK1KDM4EALDH1A1MEN1HPGD
SCHEMBL28857176 0.81 GAA (0.46) RIPK1KDM4EGAAALDH1A1MEN1
SCHEMBL28945745 0.81 KDM4E (0.58) RIPK1KDM4EALDH1A1MEN1HPGD
SCHEMBL30007971 0.81 ROCK2 (0.47) RIPK1KDM4EGAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL12480511 0.80 KDM4E (0.56) RIPK1KDM4EALDH1A1MEN1HPGD
SCHEMBL10775133 0.80 KDM4E (0.56) RIPK1KDM4EALDH1A1MEN1HPGD
SCHEMBL10775129 0.80 KDM4E (0.56) RIPK1KDM4EALDH1A1MEN1HPGD
SCHEMBL633700 0.79 LMNA (0.41) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102686565-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (CH) 2015-09-30 CN disclosed
CN-102741242-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-07-01 CN disclosed
CN-102459250-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-05-06 CN disclosed
CN-104447707-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-03-25 CN disclosed
CN-101558059-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-12-03 CN disclosed
CN-101528232-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-11-12 CN disclosed
CN-103153986-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-11-05 CN disclosed
CN-102378762-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2014-10-29 CN disclosed
CN-102227407-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2014-10-22 CN disclosed
CN-102143959-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2014-10-22 CN disclosed
CN-102378762-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-03-14 CN disclosed
EP-2419433-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-02-22 EP disclosed
CN-102227407-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-10-26 CN disclosed
CN-102143959-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-08-03 CN disclosed
CN-102015692-A Heterocyclic derivatives as hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-04-13 CN disclosed
CN-102007122-A Imidazolyl biphenyl imidazoles as hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-04-06 CN disclosed
CN-101998952-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-03-30 CN disclosed
WO-2010120621-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-21 WO disclosed
CN-101754966-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2010-06-23 CN disclosed
CN-101558059-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-10-14 CN disclosed