SCHEMBL7976706

SCHEMBL7976706

CN(C)C(=S)Oc1ccc2c(c1)CCC(=O)C1=C2CCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.39
HRH3 Q9Y5N1 3/20 0.38
MAOA P21397 7/20 0.38
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
HTR2A P28223 1/20 0.35
OPRK1 P41145 1/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL5859709 0.87 MAOB (0.49) MAOBMAOAPRKCI
SCHEMBL9027437 0.76 MAOB (0.49) MAOBHRH3MAOANR1I2LMNA
SCHEMBL7976822 0.72 ALDH1A1 (0.39) MAOBMAOAPRKCI
SCHEMBL5203864 0.70 MAOB (0.69) MAOBMAOAPRKCI
SCHEMBL30821349 0.69 MAPT (0.49) MAOBHRH3
SCHEMBL7389121 0.69 MAPT (0.49) MAOBHRH3
SCHEMBL7716113 0.69 PTPRC (0.46) MAOBMAOAPRKCI
SCHEMBL7974509 0.68 CASP1 (0.44) MAOBHRH3MAOAPRKCI
SCHEMBL8319226 0.67 BAZ2B (0.56) MAOBMAOAPRKCI
SCHEMBL5204433 0.67 SRD5A2 (0.55) MAOBMAOAPRKCI

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
US-6277845-B1 BONE DISEASE PROPHYLACTICS, ANTIMETASTASIS AGENTS AVENTIS PHARMA S.A. (FR) 2001-08-21 US disclosed