Sugi Predict

Sugi Predict / Compounds / SCHEMBL4783584

SCHEMBL4783584

SCHEMBL4783584

Cc1ccccc1C1c2cccn2CCCN1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.46
▸ TRPM8 Q7Z2W7 7/20 0.41
▸ P2RX1 P51575 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GRIN2B Q13224 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
SCHEMBL4781085 0.85 TACR1 (0.40) TRPV1KDM4EALDH1A1
SCHEMBL14160364 0.75 TACR1 (0.39) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4781278 0.74 ALDH1A1 (0.38) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL4783251 0.72 MAPT (0.41) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL4783560 0.72 SMN1; SMN2 (0.45) MEN1KMT2ANPSR1KDM4EALDH1A1
SCHEMBL4783999 0.72 KDM4E (0.50) KDM4EALDH1A1MAPT
SCHEMBL4783091 0.71 ALDH1A1 (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4782716 0.71 TACR1 (0.40) TRPV1TRPM8ALDH1A1
SCHEMBL4784173 0.70 ALDH1A1 (0.39) KDM4EALDH1A1MAPT
SCHEMBL4054586 0.70 TRPM8 (0.50) TRPM8MEN1KMT2ANPSR1KDM4E

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