SCHEMBL8783262

SCHEMBL8783262

CC(Cn1nnc(-c2cc(C=O)ccc2-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ3 P48549 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
EGFR P00533 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8783166 0.90 ABCG2 (0.39) MEN1KMT2ATRPV1CNR1CNR2
SCHEMBL7772783 0.77 FYN (0.43) MEN1KMT2ATRPV1CNR1CNR2
SCHEMBL8783257 0.76 TDP1 (0.36) MEN1KMT2AABCG2RAB9AL3MBTL1
SCHEMBL7774902 0.74 RAB9A (0.50) MEN1KMT2APKMHTTRAB9A
SCHEMBL8783252 0.73 ABCG2 (0.34) MEN1KMT2AABCG2RAB9AKCNJ6
SCHEMBL7348668 0.72 POLB (0.40) MEN1KMT2AABCG2NPC1SMN1; SMN2
SCHEMBL8784604 0.71 ABCG2 (0.39) MEN1KMT2AABCG2HPGDNPC1
SCHEMBL30866160 0.70 ALDH1A1 (0.44) MEN1KMT2ARAB9ANPC1
SCHEMBL35967 0.69 ALDH1A1 (0.48) MEN1KMT2ARAB9ANPC1
SCHEMBL5490742 0.66 ALDH1A1 (0.50) MEN1KMT2ANPC1

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 claimed
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 claimed