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Sugi Predict / Compounds / SCHEMBL3243512

SCHEMBL3243512

SCHEMBL3243512

Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN(C(=O)C3CC3)CC2)CCN1OC(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 19/20 0.67
▸ CYP3A4 P08684 2/20 0.67
▸ SIGMAR1 Q99720 2/20 0.67
▸ PTAFR P25105 1/20 0.57

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
SCHEMBL3246694 1.00 TACR1 (0.67) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL3235696 0.93 TACR1 (0.78) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL3239538 0.93 TACR1 (0.78) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL3247812 0.92 TACR1 (0.68) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL3243221 0.92 TACR1 (0.68) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL3248437 0.91 TACR1 (0.68) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL3240404 0.89 TACR1 (0.67) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL4712181 0.84 TACR1 (0.80) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL4707782 0.84 TACR1 (0.80) TACR1CYP3A4SIGMAR1PTAFR
Hydrochloric Acid SCHEMBL4709532 0.84 TACR1 (0.79) TACR1CYP3A4SIGMAR1PTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921064-B1 Pharmaceutical composition GLAXO GROUP LTD (GB) 2010-05-19 — — EP claimed
EP-1524266-B1 Pharmaceutical composition GLAXO GROUP LTD (GB) 2007-02-28 — — EP claimed
EP-1326832-B1 CHEMICAL COMPOUNDS GLAXO GROUP LTD (GB) 2004-10-06 — — EP claimed