SCHEMBL8582845

SCHEMBL8582845

CCCCCNCc1cnc(Cc2ccc(C#N)cc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PLA2G10 O15496 2/20 0.40
PLA2G1B P04054 2/20 0.40
PLA2G2A P14555 2/20 0.40
PLA2G5 P39877 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
BRS3 P32247 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP19A1 P11511 3/20 0.37
LMNA P02545 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL8298317 0.85 BRS3 (0.48) SCN8ABRS3CYP19A1OPRM1
Hydrochloric Acid SCHEMBL8304229 0.84 BRS3 (0.47) SCN8ABRS3CYP19A1OPRM1
SCHEMBL7468902 0.74 HRH3 (0.48) HRH3BRS3LOXL2SMN1; SMN2CYP19A1
SCHEMBL7129739 0.74 BRS3 (0.52) HRH3BRS3LOXL2SMN1; SMN2CYP19A1
SCHEMBL8498703 0.74 BRS3 (0.49) HRH3BRS3LOXL2SMN1; SMN2CYP1A2
SCHEMBL7505077 0.74 LOXL2 (0.49) HRH3BRS3LOXL2SMN1; SMN2CYP1A2
SCHEMBL10588302 0.74 BRS3 (0.49) HRH3BRS3LOXL2SMN1; SMN2CYP19A1
SCHEMBL8121737 0.74 BRS3 (0.49) HRH3BRS3LOXL2SMN1; SMN2CYP19A1
SCHEMBL7843395 0.73 HRH3 (0.47) HRH3HRH4BRS3LOXL2SMN1; SMN2
Hydrochloric Acid SCHEMBL6949148 0.73 HRH3 (0.47) HRH3BRS3LOXL2SMN1; SMN2CYP19A1

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
EP-0880320-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-06-16 EP disclosed
EP-0880320-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-12-02 EP disclosed
WO-1997027752-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-08-07 WO disclosed