SCHEMBL7272672

SCHEMBL7272672

C=CC[C@@H]1C[C@@H](CN)N(CCc2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SIGMAR1 Q99720 5/20 0.38
OPRM1 P35372 4/20 0.38
KCNH2 Q12809 1/20 0.38
FAAH O00519 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL7274379 0.93 FAAH (0.39) ALDH1A1MEN1KMT2ASIGMAR1OPRM1
SCHEMBL7274062 0.88 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASIGMAR1OPRM1
SCHEMBL7283610 0.87 EHMT2 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7284852 0.86 HRH3 (0.40) SIGMAR1TP53MDM2HRH3
SCHEMBL7281899 0.82 CASP3 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL7281089 0.82 MAPT (0.42) KMT2AMAPT
SCHEMBL7281928 0.82 F2 (0.36) ALDH1A1MEN1KMT2ASIGMAR1OPRM1
SCHEMBL7280021 0.81 FAAH (0.42) SIGMAR1FAAHGSK3AGSK3BMGLL
SCHEMBL7282618 0.81 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ASIGMAR1OPRM1
SCHEMBL7275324 0.81 CHRNB4 (0.39) ALDH1A1MEN1KMT2ASIGMAR1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed