SCHEMBL8478086

SCHEMBL8478086

Cn1cc(CC2CNCCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDE P14735 1/20 0.49
UBE2N P61088 1/20 0.49
TACR1 P25103 16/20 0.45
MITF O75030 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
TACR2 P21452 1/20 0.42

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
SCHEMBL7122736 1.00 IDE (0.49) IDEUBE2NTACR1MITFCA1
SCHEMBL7825901 0.85 TACR1 (0.51) TACR1CA1CA2CA4CA9
SCHEMBL8480574 0.85 TACR1 (0.51) TACR1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL8478985 0.84 TACR1 (0.50) TACR1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL7815938 0.84 TACR1 (0.50) TACR1CA1CA2CA4CA9
SCHEMBL7466926 0.84 IDE (0.66) IDEUBE2NTACR1MITFCA1
SCHEMBL7829861 0.83 TACR1 (0.49) TACR1CA1CA2CA4CA9
SCHEMBL1256779 0.81 TACR1 (0.62) TACR1
SCHEMBL7829090 0.81 TACR1 (0.62) TACR1
SCHEMBL1512947 0.81 TACR1 (0.62) 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-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