SCHEMBL7839730

SCHEMBL7839730

OCC1CCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CCNE2 O96020 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
SPHK2 Q9NRA0 5/20 0.39
SPHK1 Q9NYA1 4/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
CYP2D6 P10635 4/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
KCNH2 Q12809 3/20 0.36
CHRM4 P08173 2/20 0.36
CYP3A4 P08684 2/20 0.36

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
SCHEMBL9015291 1.00 MEN1 (0.46) MEN1KMT2ACCNE2CDK4CCND1
SCHEMBL18040352 0.95 CYP2D6 (0.41) MEN1KMT2ACCNE2CDK4CCND1
SCHEMBL18040350 0.95 CYP2D6 (0.41) MEN1KMT2ACCNE2CDK4CCND1
SCHEMBL17923208 0.95 CYP2D6 (0.41) MEN1KMT2ACCNE2CDK4CCND1
SCHEMBL29182441 0.94 CHRM2 (0.43) MEN1KMT2ACCNE2CDK4CCND1
SCHEMBL29182460 0.94 CHRM2 (0.43) MEN1KMT2ACCNE2CDK4CCND1
SCHEMBL29182446 0.94 CHRM2 (0.43) MEN1KMT2ACCNE2CDK4CCND1
SCHEMBL25338317 0.90 MEN1 (0.38) MEN1KMT2ACCNE2CDK4CCND1
SCHEMBL20595815 0.90 MEN1 (0.38) MEN1KMT2ACCNE2CDK4CCND1
SCHEMBL29182442 0.90 MEN1 (0.38) MEN1KMT2ACCNE2CDK4CCND1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011400-A Asymmetric auxiliary group 日本波涛生命科学公司 2017-08-04 CN disclosed
EP-0801644-A4 POLYARYLCARBAMOYLAZA -AND- CARBAMOYLALKANEDIOIC ACIDS RHONE POULENC RORER PHARMA (US) 2001-03-07 EP disclosed
EP-0801644-A1 POLYARYLCARBAMOYLAZA -AND- CARBAMOYLALKANEDIOIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-10-22 EP disclosed
US-5556990-A SQUALENE SYNTHASE INHIBITORS, ANTICHOLESTEROL AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-09-17 US disclosed
WO-1996018615-A1 POLYARYLCARBAMOYLAZA -AND- CARBAMOYLALKANEDIOIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-06-20 WO disclosed