SCHEMBL7986689

SCHEMBL7986689

CC(NCC(c1c(Cl)cccc1Cl)N1CCN(C2CCCCC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 15/20 0.49
TACR1 P25103 5/20 0.49

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
SCHEMBL7986971 0.94 TACR1 (0.51) TACR1
SCHEMBL7925920 0.90 TACR1 (0.51) CCR3TACR1
SCHEMBL7932611 0.84 CCR3 (0.54) CCR3TACR1
SCHEMBL7986452 0.84 TACR1 (0.53) TACR1
SCHEMBL7935285 0.83 TACR1 (0.69) CCR3TACR1
SCHEMBL7936444 0.80 TACR1 (0.67) CCR3TACR1
SCHEMBL7986923 0.80 CCR3 (0.69) CCR3TACR1
SCHEMBL7935308 0.80 TACR1 (0.72) CCR3TACR1
SCHEMBL7989759 0.76 TACR1 (0.55) TACR1
SCHEMBL7926036 0.74 TACR1 (0.55) CCR3TACR1

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-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 US claimed
US-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 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