SCHEMBL8788397

SCHEMBL8788397

COc1ccccc1-c1nnn(C(C)(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
RECQL P46063 1/20 0.50
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
KCNN4 O15554 2/20 0.40
GRM5 P41594 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
XDH P47989 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7346198 0.85 NPSR1 (0.50) NPSR1RECQLALDH1A1HPGDHSD17B10
SCHEMBL13846219 0.79 NPSR1 (0.58) NPSR1RECQLALDH1A1HSD17B10ABCB1
SCHEMBL8596999 0.78 POLB (0.38) NPSR1HPGDABCB1ABCG2KCNN4
SCHEMBL27357705 0.78 POLB (0.38) NPSR1HPGDABCG2NPC1RAB9A
SCHEMBL9429885 0.76 ABCG2 (0.40) NPSR1RECQLHPGDABCB1ABCG2
SCHEMBL9257119 0.75 POLB (0.40) NPSR1RECQLHPGDABCB1ABCG2
SCHEMBL9430611 0.74 ABCG2 (0.45) NPSR1ALDH1A1HPGDABCG2NPC1
SCHEMBL7020110 0.74 POLB (0.36) NPSR1HPGDABCG2NPC1RAB9A
SCHEMBL6188044 0.74 GRM5 (0.39) ALDH1A1HPGDABCG2KCNN4GRM5
SCHEMBL7020959 0.74 POLB (0.36) NPSR1HPGDABCG2NPC1RAB9A

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-0760814-A1 A PROCESS FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1997-03-12 EP disclosed
WO-1995032961-A1 A PROCESS FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1995-12-07 WO disclosed