SCHEMBL20786906

SCHEMBL20786906

CC(C)(O)CN1CCc2cc(Br)ccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 3/20 0.46
▸ WDR77 Q9BQA1 3/20 0.46
▸ SRD5A1 P18405 2/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ GRM5 P41594 3/20 0.40
▸ ITGB3 P05106 4/20 0.40
▸ ITGA2B P08514 4/20 0.40
▸ AR P10275 2/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ PARP11 Q9NR21 1/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ HTR1A P08908 1/20 0.38

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
SCHEMBL1500323 0.86 HDAC3 (0.43) PRMT5WDR77SRD5A1PARP1PARP10
SCHEMBL29644814 0.83 PRMT5 (0.45) PRMT5WDR77SRD5A1SRD5A2PARP1
SCHEMBL5796029 0.81 PRMT5 (0.47) PRMT5WDR77SRD5A1GRM5PARP10
SCHEMBL27822202 0.81 PRMT5 (0.47) PRMT5WDR77SRD5A1GRM5ITGB3
SCHEMBL16620172 0.80 AR (0.52) SRD5A1AR
SCHEMBL1817669 0.79 GRM5 (0.61) PRMT5WDR77SRD5A1GRM5HRH3
SCHEMBL25362979 0.79 AOC3 (0.48) PRMT5WDR77ITGB3ITGA2B
SCHEMBL30530638 0.79 AOC3 (0.48) PRMT5WDR77ITGB3ITGA2B
SCHEMBL24934195 0.78 PRMT5 (0.53) PRMT5WDR77SRD5A1GRM5PARP10
SCHEMBL20985808 0.78 ITGB3 (0.59) ITGB3ITGA2B

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-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 — — EP disclosed
CN-107344931-B Benzazepine derivative, preparation method thereof, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2020-09-15 — — CN disclosed
EP-3453707-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2019-03-13 — — EP disclosed
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