Sugi Predict

Sugi Predict / Compounds / SCHEMBL7042999

SCHEMBL7042999

SCHEMBL7042999

CN1CCN(c2ncc(-c3cccc4ccccc34)c(OC(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 17/20 0.62
▸ SGMS2 Q8NHU3 3/20 0.41

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
SCHEMBL6868287 0.90 TACR1 (0.63) TACR1
SCHEMBL6016646 0.89 TACR1 (0.63) TACR1SGMS2
SCHEMBL6862187 0.84 TACR1 (0.62) TACR1
SCHEMBL6016649 0.81 TACR1 (0.77) TACR1
SCHEMBL6016699 0.81 TACR1 (0.65) TACR1
SCHEMBL6016733 0.81 TACR1 (0.65) TACR1
SCHEMBL7036633 0.81 TACR1 (0.42) TACR1SGMS2
SCHEMBL6016597 0.81 TACR1 (0.52) TACR1SGMS2
SCHEMBL6016561 0.81 TACR1 (0.52) TACR1SGMS2
SCHEMBL6016428 0.80 TACR1 (0.64) TACR1SGMS2

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
EP-1187814-B1 5-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-18 — — EP claimed