SCHEMBL6565384

SCHEMBL6565384

CN1CCN(C(=O)c2ccc(C#CCNc3ccc(C(=N)NC(=O)OC(C)(C)C)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
ACACB O00763 2/20 0.44
PTPN11 Q06124 1/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
EPHX2 P34913 4/20 0.40
NPC1 O15118 1/20 0.39
NAMPT P43490 2/20 0.39
POLB P06746 2/20 0.37
EGLN1 Q9GZT9 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
GAA P10253 1/20 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
SCHEMBL7674981 0.93 ABL1 (0.43) ACACBPTPN11HPGDNAMPTPOLB
SCHEMBL7686729 0.93 PTPN11 (0.43) GRM5ACACBPTPN11HPGDNAMPT
SCHEMBL6561858 0.89 GRM5 (0.47) GRM5PTPN11HPGDNAMPTPOLB
SCHEMBL6565322 0.83 RAB9A (0.46) HPGDNPC1NAMPTPOLBMEN1
SCHEMBL6563002 0.82 HRH3 (0.42) GRM5PTPN11HPGDNPC1NAMPT
SCHEMBL6565533 0.82 ACACB (0.45) ACACBPTPN11MEN1KMT2AABL1
SCHEMBL6561810 0.81 HSD11B1 (0.40) ACACBPTPN11EGLN1ABL1RIN1
SCHEMBL7676583 0.81 GRM5 (0.54) GRM5ACACBHPGDALOX15EPHX2
SCHEMBL6563070 0.81 PTPN11 (0.44) PTPN11NAMPTMEN1KMT2A
SCHEMBL6563511 0.81 PTPN11 (0.40) PTPN11NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed