SCHEMBL6985146

SCHEMBL6985146

COC(=O)C1CCCN1C(=O)c1cccc2c1N(C(=O)CCc1ccc(C#N)cc1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.40
PTGER4 P35408 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
DPP4 P27487 2/20 0.36
ACE P12821 1/20 0.36
CCR1 P32246 1/20 0.35
YAP1 P46937 1/20 0.35
PTGER2 P43116 1/20 0.35
LOX P28300 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR1D1 P20393 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
PREP P48147 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
SCHEMBL6985248 0.84 MAPT (0.42) PTGER4MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL6985141 0.83 AVPR2 (0.47) AVPR2MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL7410532 0.81 CHRM2 (0.41) PTGER4MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL6981829 0.80 POLB (0.39) AVPR2PTGER4NPC1
SCHEMBL6985353 0.79 ALDH1A1 (0.46) AVPR2PTGER4MAPK1RAB9ASMN1; SMN2
SCHEMBL6987049 0.78 FKBP1A (0.42) PTGER4CNR1MAPK1SMN1; SMN2
SCHEMBL6986544 0.77 PTGER4 (0.39) AVPR2PTGER4MAPK1RAB9ASMN1; SMN2
SCHEMBL6979177 0.77 CCR5 (0.39) PTGER4MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL6977399 0.77 PTGER4 (0.42) PTGER4MAPK1RAB9ASMN1; SMN2NPC1
SCHEMBL6986437 0.76 PTGER4 (0.41) AVPR2PTGER4MAPK1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed