SCHEMBL7312764

SCHEMBL7312764

O=C(OCc1ccccc1)N1CCC[C@H]1CBr

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.55
ACE2 Q9BYF1 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CTRB1 P17538 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 1/20 0.50
KLK7 P49862 1/20 0.50
KLK5 Q9Y337 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
GFER P55789 1/20 0.49

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
SCHEMBL7318776 1.00 PREP (0.55) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL7312769 1.00 PREP (0.55) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL9092052 0.90 PREP (0.53) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL809494 0.88 SPHK2 (0.58) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL4602602 0.88 SPHK2 (0.58) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL5267939 0.88 SPHK2 (0.58) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL9202571 0.86 ACE2 (0.56) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL809403 0.86 ACE2 (0.56) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL1122261 0.86 PREP (0.55) PREPACE2SMN1; SMN2NPC1RAB9A
SCHEMBL10903579 0.86 CTRB1 (0.57) PREPACE2SMN1; SMN2NPC1RAB9A

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
US-4902684-A Benzazepine and benzothiazepine derivatives E. R. SQUIBB & SONS, INC. (US) 1990-02-20 US disclosed
WO-1989012633-A1 BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES E.R. SQUIBB & SONS, INC. (US) 1989-12-28 WO disclosed