Sugi Predict

Sugi Predict / Compounds / SCHEMBL3228336

SCHEMBL3228336

SCHEMBL3228336

Cc1cc(F)ccc1[C@H]1C[C@@H](N2C[C@@H]3C[C@]3(C(=O)O)C2)CCN1C(=O)NC[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 19/20 0.54
▸ SIGMAR1 Q99720 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ PTAFR P25105 1/20 0.51

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
SCHEMBL13537278 0.85 TACR1 (0.74) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL3226837 0.85 TACR1 (0.74) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL3219804 0.85 TACR1 (0.74) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL3226844 0.85 TACR1 (0.74) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL3237042 0.85 TACR1 (0.74) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL3228384 0.85 TACR1 (0.74) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL13537390 0.85 TACR1 (0.74) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL3228963 0.85 TACR1 (0.74) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL3236091 0.85 TACR1 (0.74) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL3219836 0.85 TACR1 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010007032-A1 PIPERIDINE BASED UREAS AS NK1 ANTAGONISTS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2010-01-21 — — WO disclosed