SCHEMBL7744107

SCHEMBL7744107

N#Cc1ccc(Cc2ncc(CN3CCc4ccccc43)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
BRS3 P32247 1/20 0.41
TRPM5 Q9NZQ8 1/20 0.40
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.38
PRMT5 O14744 6/20 0.37
WDR77 Q9BQA1 6/20 0.37
HRH3 Q9Y5N1 1/20 0.36
FPR1 P21462 2/20 0.35
FPR2 P25090 2/20 0.35
SMO Q99835 1/20 0.35
TSHR P16473 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
Hydrochloric Acid SCHEMBL7746024 0.99 TAAR1 (0.46) TAAR1BRS3TRPM5FNTAFNTB
SCHEMBL3523908 0.75 TAAR1 (0.53) TAAR1BRS3TRPM5FNTAFNTB
SCHEMBL10588302 0.74 BRS3 (0.49) BRS3HRH3
Hydrochloric Acid SCHEMBL7744227 0.73 CES1 (0.50) BRS3ALDH1A1ALOX15TSHR
SCHEMBL7919393 0.72 BRS3 (0.62) BRS3HRH3
SCHEMBL7743707 0.72 CYP1A2 (0.45) BRS3ALDH1A1HRH3TSHR
SCHEMBL7744106 0.72 FNTA (0.60) FNTAFNTB
SCHEMBL23567776 0.71 HDAC1 (0.57) TAAR1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL8498703 0.71 BRS3 (0.49) BRS3ALDH1A1MEN1KMT2AHRH3
SCHEMBL7129739 0.71 BRS3 (0.52) BRS3HRH3

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-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP claimed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO claimed