SCHEMBL8836941

SCHEMBL8836941

Cc1ccc(CC2CN(C(=O)C=Cc3ccccc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.47
ABCB1 P08183 1/20 0.43
CA1 P00915 10/20 0.41
CA2 P00918 10/20 0.41
CA4 P22748 10/20 0.41
CA9 Q16790 10/20 0.41
GPR183 P32249 1/20 0.41

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
SCHEMBL9234549 1.00 TACR1 (0.47) TACR1ABCB1CA1CA2CA4
SCHEMBL9234555 1.00 TACR1 (0.47) TACR1ABCB1CA1CA2CA4
SCHEMBL8480611 1.00 TACR1 (0.47) TACR1ABCB1CA1CA2CA4
SCHEMBL8477810 0.94 GPR183 (0.45) TACR1GPR183
SCHEMBL9239267 0.94 GPR183 (0.45) TACR1GPR183
SCHEMBL9239257 0.94 GPR183 (0.45) TACR1GPR183
SCHEMBL9236774 0.93 L3MBTL1 (0.42) TACR1GPR183
SCHEMBL8478659 0.93 L3MBTL1 (0.42) TACR1GPR183
SCHEMBL8478660 0.93 L3MBTL1 (0.42) TACR1GPR183
SCHEMBL9236781 0.93 L3MBTL1 (0.42) TACR1GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670505-A TACHYKIKIN ANTAGONIST FOR RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed