Sugi Predict

Sugi Predict / Compounds / SCHEMBL8478538

SCHEMBL8478538

SCHEMBL8478538

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 9/20 0.48
▸ CA1 P00915 10/20 0.41
▸ CA2 P00918 10/20 0.41
▸ CA4 P22748 10/20 0.41
▸ CA9 Q16790 10/20 0.41
▸ AR P10275 1/20 0.40

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
SCHEMBL9241782 1.00 TACR1 (0.48) TACR1CA1CA2CA4CA9
SCHEMBL9236769 0.90 TACR1 (0.58) TACR1CA1CA2CA4CA9
SCHEMBL8481757 0.85 TACR1 (0.49) TACR1CA1CA2CA4CA9
SCHEMBL8478209 0.84 TACR1 (0.51) TACR1CA1CA2CA4CA9
SCHEMBL9241594 0.84 TACR1 (0.51) TACR1CA1CA2CA4CA9
SCHEMBL7554339 0.83 TACR1 (0.49) TACR1CA1CA2CA4CA9
SCHEMBL8836941 0.82 TACR1 (0.47) TACR1CA1CA2CA4CA9
SCHEMBL9234555 0.82 TACR1 (0.47) TACR1CA1CA2CA4CA9
SCHEMBL9234549 0.82 TACR1 (0.47) TACR1CA1CA2CA4CA9
SCHEMBL8480611 0.82 TACR1 (0.47) TACR1CA1CA2CA4CA9

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