SCHEMBL7466994

SCHEMBL7466994

N#Cc1ccc(COc2[c]cccc2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
SQOR Q9Y6N5 1/20 0.41
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
GSTP1 P09211 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
BACE1 P56817 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
GHSR Q92847 1/20 0.38
AR P10275 1/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL7466776 0.85 GSTP1 (0.42) MAOBSQORRAB9ASMN1; SMN2GAA
SCHEMBL7460079 0.82 RXRA (0.40) MAOBFFAR1GSTP1GABRG2GABRB3
SCHEMBL7455789 0.82 RXRA (0.43) MAOBFFAR1SMN1; SMN2GSTP1L3MBTL1
SCHEMBL7461463 0.80 ABCB1 (0.44) MAOBFFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL7468369 0.79 IKBKB (0.48) NPC1SMN1; SMN2GSTP1GABRG2GABRB3
SCHEMBL7466725 0.78 RXRA (0.44) MAOBFFAR1PTGDR2RXRARXRB
SCHEMBL4280169 0.74 PTGER1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EMAPK1
SCHEMBL1119492 0.74 RAB9A (0.46) MAOBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9035933 0.74 MAOB (0.56) MAOBNPC1RAB9ASMN1; SMN2GAA
SCHEMBL20240306 0.73 MAOB (0.80) MAOBFFAR1AKR1B1RAB9AGSTP1

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
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP claimed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO claimed