SCHEMBL6951013

SCHEMBL6951013

COc1ccc2c(C3CNCCN3c3ccncc3)noc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 10/20 0.38
▸ HTR2A P28223 9/20 0.38
▸ HTR2B P41595 9/20 0.38
▸ CHUK O15111 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.31
▸ PRKCH P24723 1/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ PRKCE Q02156 1/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ PRKCZ Q05513 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ PRKD1 Q15139 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
Hydrochloric Acid SCHEMBL8183831 0.99 HTR2C (0.37) HTR2CHTR2AHTR2BCHUKPRKD3
SCHEMBL6954549 0.78 CHRNA7 (0.39) HTR2CHTR2AHTR2BGAAL3MBTL1
Hydrochloric Acid SCHEMBL6952537 0.73 BRD4 (0.30) —
SCHEMBL6950569 0.72 ESR1 (0.35) HTR2CHTR2AHTR2BADRB2NCF1
SCHEMBL28112889 0.69 ADRB2 (0.49) HTR2CHTR2AHTR2BGAAL3MBTL1
Hydrochloric Acid SCHEMBL6952534 0.69 LMNA (0.42) NCF1
SCHEMBL6953391 0.69 KMT2A (0.37) HTR2A
SCHEMBL7366527 0.67 L3MBTL1 (0.63) HTR2CHTR2AHTR2BGAAL3MBTL1
SCHEMBL5461889 0.62 GSK3B (0.52) HTR2CHTR2AHTR2BPRKD3PRKCG
SCHEMBL38663101 0.62 GSK3B (0.52) HTR2CHTR2AHTR2BPRKD3PRKCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669920-B1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2003-02-12 — — EP disclosed
US-5580982-A ANTIDEPRESSANTS; ANTICHOLINERGIC AGENTS; ALZHEIMER'S DISEASE; AMINE OXIDASE INHIBITORS HOECHST MARION ROUSSEL INC. (US) 1996-12-03 — — US disclosed
US-5494908-A ANTIDEPRESSANT HOECHST-ROUSSEL PHARMACEUTICAL INCORPORATED (US) 1996-02-27 — — US disclosed
WO-1994012495-A1 SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-06-09 — — WO disclosed
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