Sugi Predict

Sugi Predict / Compounds / SCHEMBL6600384

SCHEMBL6600384

SCHEMBL6600384

Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN(C)C(=O)C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 19/20 0.79
▸ SIGMAR1 Q99720 2/20 0.77
▸ CYP3A4 P08684 2/20 0.77
▸ PTAFR P25105 1/20 0.75

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
SCHEMBL5592152 0.87 TACR1 (0.78) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL6626766 0.87 TACR1 (0.76) TACR1SIGMAR1CYP3A4PTAFR
Casopitant SCHEMBL29985145 0.87 TACR1 (1.00) TACR1SIGMAR1CYP3A4PTAFR
Casopitant SCHEMBL28465526 0.87 TACR1 (1.00) TACR1SIGMAR1CYP3A4PTAFR
Casopitant SCHEMBL19517030 0.87 TACR1 (1.00) TACR1SIGMAR1CYP3A4PTAFR
Casopitant SCHEMBL30695561 0.87 TACR1 (1.00) TACR1SIGMAR1CYP3A4PTAFR
Casopitant SCHEMBL515071 0.87 TACR1 (1.00) TACR1SIGMAR1CYP3A4PTAFR
Casopitant SCHEMBL425342 0.87 TACR1 (1.00) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL19442743 0.86 TACR1 (0.86) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL13619345 0.86 TACR1 (0.86) TACR1SIGMAR1CYP3A4PTAFR

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
EP-1472243-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2004-11-03 — — EP claimed
WO-2003066621-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2003-08-14 — — WO claimed