SCHEMBL7262288

SCHEMBL7262288

NNc1ccccc1C(=O)NCC1CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ CHRM1 P11229 10/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ CHRM2 P08172 3/20 0.47
▸ CHRM4 P08173 3/20 0.47
▸ CHRM3 P20309 3/20 0.47
▸ CHRM5 P08912 2/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ CNR2 P34972 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
SCHEMBL2154639 0.82 ALDH1A1 (0.56) KDM4EALDH1A1CHRM1NPC1CHRM2
SCHEMBL8297083 0.79 HPGD (0.57) KDM4EALDH1A1CHRM1NPC1CHRM2
SCHEMBL29857237 0.79 ALDH1A1 (0.56) KDM4EALDH1A1CHRM1NPC1CHRM2
SCHEMBL2129927 0.79 CHRM1 (0.61) KDM4EALDH1A1CHRM1NPC1CNR1
SCHEMBL30848453 0.75 HPGD (0.60) KDM4EALDH1A1NPC1CNR2
SCHEMBL5259572 0.75 NPC1 (0.60) ALDH1A1NPC1CNR1CNR2
SCHEMBL4002313 0.75 KDM4E (0.56) KDM4EALDH1A1CHRM1NPC1CHRM2
SCHEMBL5670087 0.75 KDM4E (0.52) KDM4EALDH1A1CHRM1NPC1HIF1A
SCHEMBL12799245 0.75 KDM4E (0.52) KDM4EALDH1A1CHRM1NPC1HIF1A
SCHEMBL5670080 0.75 KDM4E (0.52) KDM4EALDH1A1CHRM1NPC1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614898-B1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-05-07 — — EP disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 — — US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 — — US disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 — — US disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 — — EP disclosed
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