SCHEMBL8673196

SCHEMBL8673196

Cc1ccc(C([CH]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 14/20 0.53
TACR1 P25103 5/20 0.48
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL8675023 0.91 CCR3 (0.52) CCR3TACR1
SCHEMBL8673445 0.90 CCR3 (0.50) CCR3TACR1CHRM2CHRM1
SCHEMBL8674728 0.90 TACR1 (0.56) CCR3TACR1
SCHEMBL8670965 0.89 TACR1 (0.48) CCR3TACR1
SCHEMBL8672793 0.89 CCR3 (0.55) CCR3TACR1CHRM2CHRM1
SCHEMBL8675028 0.86 TACR1 (0.51) CCR3TACR1
SCHEMBL8669602 0.85 TACR1 (0.48) CCR3TACR1
SCHEMBL8671013 0.83 TACR1 (0.54) CCR3TACR1CHRM2CHRM1
SCHEMBL8673515 0.82 TACR1 (0.49) CCR3TACR1
SCHEMBL8669206 0.81 TACR1 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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