SCHEMBL8303047

SCHEMBL8303047

N#CCCc1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
HRH3 Q9Y5N1 3/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CHRNA7 P36544 2/20 0.46
AHR P35869 1/20 0.44
EGFR P00533 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL31059889 0.82 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL7169246 0.82 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL1160528 0.82 LOXL2 (0.55) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL396373 0.81 LOXL2 (0.58) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL30939452 0.81 LOXL2 (0.58) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL28335219 0.81 LOXL2 (0.67) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL6860219 0.79 LOXL2 (0.64) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL401081 0.78 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL29403791 0.78 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL28338445 0.78 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1110496-C Tetrahydro Gamma-carbolines JANSSON PHARMACEUTICAL N V (BE) 2003-06-04 CN disclosed
CN-1269800-A Tetrahydro Gamma-carbolines JANSSON PHARMACEUTICAL N V (BE) 2000-10-11 CN disclosed
EP-0469833-B1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY CO ELI (GB) 1999-09-08 EP disclosed
CN-1040108-C Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1998-10-07 CN disclosed
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 WO disclosed
US-5281593-A Pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1994-01-25 US disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 EP disclosed