SCHEMBL9703496

SCHEMBL9703496

NCCCCCCc1cc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
HRH3 Q9Y5N1 1/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SSTR1 P30872 4/20 0.45
SSTR2 P30874 4/20 0.45
SSTR4 P31391 4/20 0.45
SSTR3 P32745 4/20 0.45
SSTR5 P35346 4/20 0.45
CHRNA7 P36544 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
AOC3 Q16853 1/20 0.44
PRKD3 O94806 3/20 0.44
PRKCG P05129 3/20 0.44
PRKCB P05771 3/20 0.44
PRKCA P17252 3/20 0.44
PRKCH P24723 3/20 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
SCHEMBL9494966 1.00 LOXL2 (0.62) LOXL2HRH3MTNR1AMTNR1BKDM4E
SCHEMBL8376332 0.98 LOXL2 (0.65) LOXL2HRH3MTNR1AMTNR1BKDM4E
SCHEMBL1713962 0.93 LOXL2 (0.67) LOXL2HRH3MTNR1AMTNR1BKDM4E
Hydrochloric Acid SCHEMBL27539522 0.91 LOXL2 (0.65) LOXL2HRH3MTNR1AMTNR1BKDM4E
SCHEMBL653530 0.85 LOXL2 (0.71) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL6860219 0.85 LOXL2 (0.64) LOXL2HRH3MTNR1AMTNR1BCHRNA7
Iodide SCHEMBL28690475 0.84 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
Hydrochloric Acid SCHEMBL28686778 0.84 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
Bromide SCHEMBL28679046 0.84 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL15642742 0.83 LOXL2 (0.53) LOXL2HRH3MTNR1AMTNR1BCHRNA7

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
US-5130308-A Indole derivatives as anticarcinogenic agents ASTA PHARMA (DE) 1992-07-14 US disclosed
US-4992553-A Treatment of hormone dependent tumors ASTA PHARMA AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed
EP-0262498-B1 DIAMINE PLATINUM (II) COMPLEX COMPOUNDS WITH A HYDROXY-SUBSTITUTED 2-PHENYL-INDOLE RING ASTA Pharma Aktiengesellschaft (DE) 1990-05-30 EP disclosed
EP-0262498-A2 Diamine platinum (II) complex compounds with a hydroxy-substituted 2-phenyl-indole ring ASTA Pharma Aktiengesellschaft (DE) 1988-04-06 EP disclosed