SCHEMBL19365548

SCHEMBL19365548

O=C(Nc1cncc(F)c1)N1c2nc(-c3cncc(C(F)(F)F)c3)ccc2C2C[C@@H](O)C21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.37
▸ CRHR1 P34998 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ ABL1 P00519 7/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ AR P10275 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CLK1 P49759 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CTPS1 P17812 1/20 0.31

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
SCHEMBL19365787 0.91 SCN10A (0.40) TRPV3CRHR1CHRNA7SCN10AABL1
SCHEMBL19365666 0.89 HTR2C (0.41) HTR2CHTR2BHTR2A
SCHEMBL19706290 0.87 MAPT (0.39) TRPV3SCN10AKDM1APTGS2
SCHEMBL19670562 0.84 ALOX15 (0.39) TRPV3CHRNA7ABL1CLK2KDM1A
SCHEMBL19706271 0.84 CNR2 (0.36) TRPV3ABL1CLK2KDM1A
SCHEMBL19365860 0.84 CHRNA7 (0.36) TRPV3CHRNA7ABL1ARKDM1A
SCHEMBL19670548 0.84 TRPM8 (0.38) TRPV3CHRNA7ABL1KDM1APTGS2
SCHEMBL19365783 0.83 RHOA (0.45) KDM1A
SCHEMBL19365405 0.83 GABRA1 (0.39) TRPV3CHRNA7KDM1AHTR2CHTR2B
SCHEMBL19670327 0.82 PIK3CD (0.36) TRPV3CRHR1CHRNA7ABL1KDM1A

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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