SCHEMBL8475997

SCHEMBL8475997

C[C@H](c1cn(C)c2ccccc12)C1CNCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.39
TACR2 P21452 1/20 0.37
IDE P14735 1/20 0.37
UBE2N P61088 1/20 0.37
MITF O75030 1/20 0.36
MC4R P32245 1/20 0.35
APAF1 O14727 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL7823350 1.00 TACR1 (0.39) TACR1TACR2IDEUBE2NMITF
SCHEMBL7122742 0.83 TACR1 (0.45) TACR1
SCHEMBL7823099 0.80 MAPK1 (0.39) TACR1TACR2MC4RMGLL
SCHEMBL7823106 0.80 MAPK1 (0.39) TACR1TACR2MC4RMGLL
SCHEMBL7122736 0.79 IDE (0.49) TACR1TACR2IDEUBE2NMITF
SCHEMBL8478086 0.79 IDE (0.49) TACR1TACR2IDEUBE2NMITF
SCHEMBL7466926 0.68 IDE (0.66) TACR1IDEUBE2NMITF
SCHEMBL7825901 0.68 TACR1 (0.51) TACR1
SCHEMBL8480574 0.68 TACR1 (0.51) TACR1
SCHEMBL7823087 0.68 TACR1 (0.66) TACR1IDEUBE2NMITF

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