SCHEMBL19365666

SCHEMBL19365666

O=C(Nc1cccnc1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2C2C[C@@H](O)C21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.41
▸ HTR2A P28223 4/20 0.41
▸ TRPM8 Q7Z2W7 2/20 0.40
▸ CSF1R P07333 1/20 0.38
▸ FAAH O00519 3/20 0.38
▸ KIT P10721 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL19706287 0.93 HTR2A (0.43) HTR2CHTR2ATRPM8CSF1RFAAH
SCHEMBL19706290 0.89 MAPT (0.39) MEN1KMT2AMAPTTSHR
SCHEMBL19365548 0.89 TRPV3 (0.37) HTR2CHTR2AHTR2B
SCHEMBL19365787 0.89 SCN10A (0.40) TRPV1MAPT
SCHEMBL19365405 0.87 GABRA1 (0.39) HTR2CHTR2AFAAHHTR2BCYP3A4
SCHEMBL19670562 0.87 ALOX15 (0.39) FAAHHSD17B10CYP3A4CYP2D6MAPT
SCHEMBL19670548 0.86 TRPM8 (0.38) TRPM8TRPV1EGFRFGFR1KDR
SCHEMBL19365783 0.85 RHOA (0.45) TRPV1
SCHEMBL19365860 0.85 CHRNA7 (0.36) FAAHEGFRFGFR1KDR
SCHEMBL19706127 0.83 TSHR (0.47) HTR2CHTR2ACSF1RLMNAMEN1

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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