SCHEMBL7986452

SCHEMBL7986452

CC(NCC(c1cccc(Cl)c1Cl)N1CCC(N2CCCCC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.53

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
SCHEMBL7925920 0.94 TACR1 (0.51) TACR1
SCHEMBL7986971 0.90 TACR1 (0.51) TACR1
SCHEMBL7936444 0.85 TACR1 (0.67) TACR1
SCHEMBL7934808 0.84 TACR1 (0.58) TACR1
SCHEMBL7986689 0.84 CCR3 (0.49) TACR1
SCHEMBL9056368 0.80 TACR1 (0.80) TACR1
SCHEMBL7926036 0.79 TACR1 (0.55) TACR1
SCHEMBL7935285 0.79 TACR1 (0.69) TACR1
SCHEMBL7975408 0.76 TACR1 (0.60) TACR1
SCHEMBL7935503 0.75 CCR3 (0.66) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 US claimed
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed
US-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 US disclosed
US-5985881-A TREATMENT AND PREVENTION OF RESPIRATORY DISORDERS, INFLAMMATORY EYE DISEASES, INFLAMMATORY SKIN DISEASES, INTESTINAL DISORDERS, OTHER INFLAMMATORY DISEASES BOEHRINGER INGELHEIM KG (DE) 1999-11-16 US disclosed
US-5708006-A ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM KG (DE) 1998-01-13 US disclosed
US-5696123-A ALPHA-PIPERAZINYL BENZYL COMPOUND AS TACHYKININ ANTAGONIST TREATING ASTHMA, BRONCHITIS, SKIN DISORDER, EYE DISEASE, HEADACHE, GASTROINTESTINAL DISORDER BOEHRINGER INGELHEIM KG (DE) 1997-12-09 US disclosed
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 WO disclosed