SCHEMBL9036908

SCHEMBL9036908

COc1ccc(C(=O)c2c(C)n(CCCBr)c3ccc(F)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 1/20 0.53
CNR1 P21554 2/20 0.50
CNR2 P34972 3/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
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
SCHEMBL10741477 0.89 KDM4E (0.53) KDM4EHSD17B10CNR1CNR2TP53
SCHEMBL9036173 0.89 KDM4E (0.53) KDM4EHSD17B10CNR1CNR2TP53
SCHEMBL9035533 0.85 CNR1 (0.66) CNR1CNR2CYP1A2CYP3A4TSHR
Fumaric Acid SCHEMBL9691384 0.84 KDM4E (0.50) KDM4EHSD17B10CNR1CNR2TP53
Maleic Acid SCHEMBL9691380 0.84 KDM4E (0.50) KDM4EHSD17B10CNR1CNR2TP53
SCHEMBL9691672 0.83 CNR1 (0.54) KDM4EHSD17B10CNR1CNR2TP53
SCHEMBL9689321 0.83 CNR1 (0.69) CNR1CNR2TP53ALDH1A1CYP1A2
SCHEMBL9689445 0.83 CNR1 (0.54) KDM4EHSD17B10CNR1CNR2TP53
SCHEMBL9691719 0.83 CNR1 (0.66) CNR1CNR2CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL9691472 0.83 CNR1 (0.68) CNR1CNR2TP53ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445781-B1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC (US) 1996-01-31 EP disclosed
EP-0171037-B1 3-CARBONYL-1-AMINOALKYL-1H-INDOLES USEFUL AS ANALGESICS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-06-17 EP disclosed
EP-0445781-A1 3-Arylcarbonyl-1-aminoalkyl-1H-indole containing antiglaucoma compositions STERLING WINTHROP INC. (US) 1991-09-11 EP disclosed
US-5013837-A Treatment of glaucoma STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-5013732-A Analgesics STERLING DRUG INC. (US) 1991-05-07 US disclosed
US-4978664-A Analgesic, anti-rheumatic, and anti-inflammatory agent STERLING DRUG INC. (US) 1990-12-18 US disclosed
US-4973587-A 3-arylcarbonyl-1-aminoalkyl-1H-indole-containing antiglaucoma method STERLING DRUG INC. (US) 1990-11-27 US disclosed
US-4885295-A ANALGESICS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES STERLING DRUG INC. (US) 1989-12-05 US disclosed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 US disclosed
US-4634776-A ANALGESIC, ANTIRHEUMATIC, ANTIINFLAMMATORY STERLING DRUG, INC. (US) 1987-01-06 US disclosed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 US disclosed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 EP disclosed