SCHEMBL8480595

SCHEMBL8480595

Cc1ccc(CC2CN(C(=O)C=Cc3ccc(Cl)cc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RHOC P08134 4/20 0.44
RHOA P61586 4/20 0.44
TACR1 P25103 4/20 0.41
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
GPR183 P32249 7/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR2 P41597 1/20 0.39

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
SCHEMBL8480591 1.00 RHOC (0.44) RHOCRHOATACR1GAAHTT
SCHEMBL9238976 1.00 RHOC (0.44) RHOCRHOATACR1GAAHTT
SCHEMBL9238971 1.00 RHOC (0.44) RHOCRHOATACR1GAAHTT
SCHEMBL9239267 0.94 GPR183 (0.45) TACR1GPR183
SCHEMBL8477810 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883098-A USED AS TACHYKININ ANTAGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND INFLAMMATORY DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed
US-5670505-A TACHYKIKIN ANTAGONIST FOR RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed