SCHEMBL18648577

SCHEMBL18648577

BN1CCCc2cc3c(c(Cl)c21)CCN(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
NR1H2 P55055 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GPR119 Q8TDV5 6/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA1 P30542 1/20 0.37
POLB P06746 1/20 0.35
STS P08842 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MKNK1 Q9BUB5 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
SCHEMBL1294022 0.88 ESR2 (0.46) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL18648629 0.88 ESR2 (0.43) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL1294555 0.86 ESR2 (0.44) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL12105512 0.85 ESR2 (0.43) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL12105508 0.83 ESR2 (0.42) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL12105516 0.83 ESR2 (0.42) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL12105518 0.83 ESR2 (0.42) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL1294622 0.82 ESR2 (0.41) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL18648627 0.82 ESR2 (0.41) ESR2NR1H2MEN1KMT2ANPC1
SCHEMBL12110032 0.81 GPR119 (0.41) ESR2NR1H2MEN1KMT2ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598434-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2017-03-21 US disclosed