SCHEMBL7342038

SCHEMBL7342038

CC(C)Cc1cccc2c1c(C(=O)O)nn2C(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ HTR4 Q13639 15/20 0.38
▸ HTR2A P28223 2/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34

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
SCHEMBL4610481 0.79 HTR4 (0.38) HTR4HTR2AKMT2A
SCHEMBL29527167 0.78 LDHA (0.39) HTR4POLB
SCHEMBL22776609 0.78 LDHA (0.39) HTR4POLB
SCHEMBL7335215 0.76 GABRA1 (0.39) GABRA1GABRB2MEN1LMNAKMT2A
SCHEMBL7304429 0.73 HTT (0.42) HTR4MEN1KMT2APOLB
SCHEMBL1832626 0.72 HTR4 (0.55) HTR4HTR2AKMT2A
SCHEMBL29805676 0.72 HTR4 (0.55) HTR4HTR2AKMT2A
Hydrochloric Acid SCHEMBL1405875 0.71 HTR4 (0.54) HTR4HTR2AKMT2A
SCHEMBL23809325 0.70 KDM4E (0.38) GABRA1GABRB2MEN1LMNAKMT2A
SCHEMBL8876503 0.68 HTR3A (0.38) HTR4KMT2A

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-0975623-B1 INDAZOLE AMIDE COMPOUNDS AS SEROTONINERGIC AGENTS ACRAF (IT) 2002-06-19 — — EP disclosed
US-6197769-B1 SEROTONINE RECEPTORS ANTAGONIST; GASTROINTESTINAL DISORDERS, ANTIARRHYTHMIA AGENTS; INCONTINENCE AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2001-03-06 — — US disclosed
EP-0975623-A2 INDAZOLE AMIDE COMPOUNDS AS SEROTONINERGIC AGENTS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2000-02-02 — — EP disclosed
WO-1998046589-A2 INDAZOLE AMIDE COMPOUNDS AS SEROTONINERGIC AGENTS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1998-10-22 — — WO disclosed
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