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Sugi Predict / Compounds / SCHEMBL4785528

SCHEMBL4785528

SCHEMBL4785528

Cc1cc(C)n2c1C(c1ccccc1)N(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 10/20 0.46
▸ RHOC P08134 2/20 0.40
▸ RHOA P61586 2/20 0.40
▸ CYP3A4 P08684 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ USP2 O75604 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38

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
SCHEMBL4783999 0.78 KDM4E (0.50) TACR1RHOCRHOACYP3A4TSHR
SCHEMBL4783091 0.73 ALDH1A1 (0.41) TACR1RHOCRHOA
SCHEMBL4784173 0.72 ALDH1A1 (0.39) TACR1RHOCRHOA
SCHEMBL4781085 0.71 TACR1 (0.40) TACR1RHOCRHOACYP3A4TSHR
SCHEMBL4782716 0.69 TACR1 (0.40) TACR1RHOCRHOACYP3A4TSHR
SCHEMBL4781699 0.69 TACR1 (0.40) TACR1RHOCRHOACYP3A4TSHR
SCHEMBL7862741 0.68 TACR1 (0.47) TACR1RHOCRHOACYP3A4TSHR
SCHEMBL13753509 0.66 HPGD (0.56) TACR1RHOCRHOACYP3A4TSHR
SCHEMBL3094820 0.66 CYP3A4 (0.47) TACR1CYP3A4TSHRUSP2HSD17B10
SCHEMBL3094810 0.66 CYP3A4 (0.47) TACR1CYP3A4TSHRUSP2HSD17B10

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-2008067222-A1 HETEROCYCLIC MODULATORS OF TGR5 KALYPSYS, INC. (US) 2008-06-05 — — WO disclosed