SCHEMBL8203535

SCHEMBL8203535

CCCc1ccc2c(c1)CN(C(C)=O)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
HRH3 Q9Y5N1 2/20 0.49
F10 P00742 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
PRMT5 O14744 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
MCHR1 Q99705 1/20 0.41
NR1H2 P55055 1/20 0.41
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 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
SCHEMBL8224502 0.88 NOTUM (0.59) NOTUMHRH3F10NPC1RAB9A
SCHEMBL8252670 0.87 NR1H2 (0.43) NOTUMF10NPC1RAB9AATM
SCHEMBL13163142 0.84 NOTUM (0.58) NOTUMHRH3F10NPC1RAB9A
SCHEMBL12960968 0.82 NOTUM (0.59) NOTUMHRH3NPC1RAB9AATM
SCHEMBL10312978 0.82 NOTUM (0.55) NOTUMHRH3F10NPC1RAB9A
SCHEMBL8198421 0.82 NOTUM (0.55) NOTUMHRH3F10PRMT5ESR1
SCHEMBL8253941 0.81 NOTUM (0.54) NOTUMHRH3F10NPC1RAB9A
SCHEMBL20752768 0.79 NOTUM (0.67) NOTUMNPC1RAB9ACYP1A2CYP2C9
SCHEMBL24253498 0.79 DRD2 (0.51) HRH3CYP1A2CYP2C9CYP2C19
SCHEMBL10205360 0.78 NOTUM (0.46) NOTUMHRH3F10MCHR1

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
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed