SCHEMBL7752748

SCHEMBL7752748

NCCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALOX5 P09917 2/20 0.49
▸ HTR6 P50406 9/20 0.49
▸ HRH1 P35367 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ TAAR1 Q96RJ0 2/20 0.46
▸ CYP19A1 P11511 2/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL9502361 0.87 CYP19A1 (0.57) HTR2AALDH1A1MEN1KMT2AHTR6
SCHEMBL28813072 0.83 HRH1 (0.58) HTR2AMEN1KMT2AHTR6HRH1
SCHEMBL4731450 0.82 POLB (0.68) HTR2AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31595698 0.82 POLB (0.68) HTR2AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7753094 0.81 HTR6 (0.69) HTR2AALDH1A1HTTKMT2AHTR6
Hydrochloric Acid SCHEMBL7674266 0.81 POLB (0.67) HTR2AALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8986547 0.80 HTR6 (0.67) HTR2AKMT2AHTR6HRH1POLB
SCHEMBL13621791 0.80 ALDH1A1 (0.66) ALDH1A1MEN1HTTKMT2ASMN1; SMN2
SCHEMBL8758865 0.80 ALDH1A1 (0.62) HTR2AALDH1A1HTTKMT2AHTR6
SCHEMBL8758329 0.78 HTR2A (0.53) HTR2AALDH1A1MEN1KMT2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255335-B1 BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-07-03 — — US disclosed
EP-1071664-A1 SUBSTITUTED 2-OXO-ALKANOIC ACID- 2-(INDOL-3-YL)-ETHYL] AMIDES BAYER AG (DE) 2001-01-31 — — EP disclosed
WO-1999054301-A1 SUBSTITUTED 2-OXO-ALKANOIC ACID-[2-(INDOL-3-YL)-ETHYL] AMIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-28 — — WO disclosed
US-5480983-A ANALGESICS, HYPOTENSIVE AGENTS LABORATOIRES UPSA (FR) 1996-01-02 — — US disclosed
EP-0623138-A1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. UNION PHARMA SCIENT APPL (FR) 1994-11-09 — — EP disclosed
WO-1993014102-A1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRES UPSA (FR) 1993-07-22 — — WO disclosed
US-5229505-A CNS and cardiovascular effects LABORATOIRES UPSA (FR) 1993-07-20 — — US disclosed
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