SCHEMBL8673223

SCHEMBL8673223

COc1ccccc1C([CH]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.61
CCR3 P51677 3/20 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
SCHEMBL8921168 1.00 TACR1 (0.61) TACR1CCR3
SCHEMBL8669200 0.99 TACR1 (0.60) TACR1CCR3
SCHEMBL8671453 0.98 TACR1 (0.60) TACR1CCR3
SCHEMBL8922966 0.89 TACR1 (0.61) TACR1CCR3
SCHEMBL8672852 0.89 TACR1 (0.49) TACR1
SCHEMBL8921126 0.87 TACR1 (0.55) TACR1CCR3
SCHEMBL8673642 0.86 TACR1 (0.47) TACR1
SCHEMBL8673188 0.86 TACR1 (0.50) TACR1
SCHEMBL8673191 0.85 TACR1 (0.48) TACR1
SCHEMBL8671580 0.85 TACR1 (0.49) 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 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