SCHEMBL30664953

SCHEMBL30664953

C[C@@H]1Cc2cc(Br)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 7/20 0.56
▸ ADRA2A P08913 4/20 0.56
▸ ADRA2B P18089 3/20 0.56
▸ ADRA2C P18825 3/20 0.56
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ BRD4 O60885 4/20 0.41
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PGR P06401 1/20 0.37
▸ AR P10275 1/20 0.37
▸ CREBBP Q92793 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ EP300 Q09472 1/20 0.37

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
SCHEMBL1982433 1.00 PNMT (0.56) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL26656333 1.00 PNMT (0.56) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL30697867 0.86 PNMT (0.62) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL17018035 0.81 PNMT (0.45) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL21172482 0.81 PNMT (0.45) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL31511298 0.81 PNMT (0.45) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL30294039 0.81 PNMT (0.45) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL16585592 0.81 PNMT (0.45) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL12965849 0.79 AR (0.45) PNMTADRA2AADRA2BADRA2CLMNA
SCHEMBL31188791 0.78 PNMT (0.41) PNMTADRA2AADRA2BADRA2CBRD4

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-4526289-A1 ANTIVIRAL INDOLINYL COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-03-26 — — EP disclosed
CN-119546574-A Antiviral indolinyl compounds and uses thereof 吉利德科学公司 2025-02-28 — — CN disclosed
WO-2023225162-A1 ANTIVIRAL INDOLINYL COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-11-23 — — WO disclosed
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