SCHEMBL7956540

SCHEMBL7956540

O=C1CC(CCO)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.58
TACR1 P25103 18/20 0.56
TACR2 P21452 2/20 0.52
TACR3 P29371 2/20 0.52

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
SCHEMBL8347511 0.86 KDM4E (0.45) CCR5TACR1TACR2TACR3
SCHEMBL7947464 0.84 CCR5 (0.54) CCR5TACR1TACR2TACR3
SCHEMBL4631654 0.83 TACR1 (0.49) CCR5TACR1TACR2TACR3
SCHEMBL8203185 0.82 TACR1 (0.68) CCR5TACR1TACR2TACR3
SCHEMBL8347309 0.80 TACR1 (0.68) CCR5TACR1TACR2TACR3
SCHEMBL8351334 0.79 TACR1 (0.66) CCR5TACR1TACR2TACR3
SCHEMBL4630039 0.79 TACR1 (0.47) CCR5TACR1TACR2TACR3
SCHEMBL8352523 0.78 CCR5 (0.45) CCR5TACR1TACR2TACR3
SCHEMBL8351331 0.77 TACR1 (0.51) CCR5TACR1TACR2TACR3
SCHEMBL4630897 0.77 TACR1 (0.48) CCR5TACR1TACR2TACR3

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
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
EP-0696280-B1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL PHARMA INC (US) 1997-09-24 EP disclosed
US-5661160-A ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM MERRELL PHARMACEUTICALS INC. (US) 1997-08-26 US disclosed
US-5648366-A TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA MERRELL PHARMACEUTICALS INC. (US) 1997-07-15 US disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
US-5635510-A TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-06-03 US disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed
EP-0696280-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMA (US) 1996-02-14 EP disclosed
WO-1994026735-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-24 WO disclosed