SCHEMBL7676583

SCHEMBL7676583

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
ACACB O00763 1/20 0.48
EPHX2 P34913 3/20 0.46
POLB P06746 3/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 3/20 0.42
ALOX15 P16050 1/20 0.42
NAMPT P43490 1/20 0.42
KDM1A O60341 1/20 0.41
LMNA P02545 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6563675 0.91 F10 (0.47) GRM5ACACBITGB3ITGA2BHPGD
SCHEMBL6565941 0.91 F10 (0.47) GRM5ACACBITGB3ITGA2BHPGD
SCHEMBL6563450 0.90 F10 (0.48) ACACBITGB3ITGA2BNPC1HPGD
SCHEMBL6565248 0.87 GRM5 (0.56) GRM5POLBITGB3ITGA2BHPGD
SCHEMBL6565384 0.81 GRM5 (0.46) GRM5ACACBEPHX2POLBNPC1
SCHEMBL5885913 0.80 F10 (0.52) ACACBHPGDLMNAMAPK1RAB9A
SCHEMBL7676415 0.79 RAB9A (0.51) NPC1HPGDNAMPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL5885501 0.79 F10 (0.52) ACACBHPGDLMNAMAPK1RAB9A
SCHEMBL6561958 0.79 ACACB (0.49) ACACBHPGDKMT2AMEN1
SCHEMBL6561970 0.79 GAA (0.49) GRM5HPGDNAMPTLMNAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed