SCHEMBL7571253

SCHEMBL7571253

N#Cc1ccc(Cc2ncc(CCCl)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
BRS3 P32247 2/20 0.46
DAO P14920 2/20 0.40
TYMP P19971 1/20 0.39
CYP19A1 P11511 3/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 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
SCHEMBL7468902 0.90 HRH3 (0.48) HRH3BRS3DAOTYMPCYP19A1
Hydrochloric Acid SCHEMBL6949148 0.88 HRH3 (0.47) HRH3BRS3DAOTYMPCYP19A1
SCHEMBL7843395 0.85 HRH3 (0.47) HRH3BRS3DAOTYMPGRIN1
SCHEMBL7505077 0.84 LOXL2 (0.49) HRH3BRS3DAOTYMPCYP19A1
SCHEMBL7129739 0.84 BRS3 (0.52) HRH3BRS3DAOTYMPCYP19A1
SCHEMBL8498703 0.84 BRS3 (0.49) HRH3BRS3DAOTYMPCYP19A1
SCHEMBL10588302 0.84 BRS3 (0.49) HRH3BRS3DAOTYMPCYP19A1
SCHEMBL8121737 0.83 BRS3 (0.49) HRH3BRS3DAOTYMPCYP19A1
SCHEMBL6961393 0.82 HRH3 (0.43) HRH3BRS3DAOTYMPCYP19A1
SCHEMBL8105207 0.81 BRS3 (0.53) HRH3BRS3DAOCYP19A1CYP11B1

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-1158982-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
EP-1158982-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 EP disclosed
WO-2000052134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed