SCHEMBL19670692

SCHEMBL19670692

CCN1CCCN(C(=O)Nc2cncc(F)c2)c2nc(-c3ccnc(C(F)(F)F)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 11/20 0.38
▸ HTR2A P28223 6/20 0.36
▸ HTR2C P28335 6/20 0.36
▸ HTR2B P41595 5/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ RAF1 P04049 10/20 0.36
▸ PKM P14618 1/20 0.34
▸ PDE4B Q07343 1/20 0.34

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
SCHEMBL19670453 0.91 HTR2C (0.36) BRAFHTR2AHTR2CHTR2BCYP1A2
SCHEMBL19670565 0.90 WNT3A (0.37) BRAFHTR2AHTR2CHTR2BCYP1A2
SCHEMBL19670433 0.86 ALOX15 (0.36) BRAFTRPV3RAF1PDE4B
SCHEMBL19699073 0.85 HTR2C (0.39) HTR2AHTR2CHTR2BCYP1A2TRPV3
SCHEMBL19670394 0.84 FAAH (0.34) BRAFTRPV3PDE4B
SCHEMBL19670663 0.83 FGFR4 (0.40) HTR2AHTR2CCYP1A2TRPV3PDE4B
SCHEMBL19670530 0.82 FAAH (0.41) HTR2AHTR2CHTR2BTRPV3PDE4B
SCHEMBL19706092 0.81 CYP11B2 (0.37) HTR2AHTR2CHTR2BCYP1A2
SCHEMBL19670620 0.80 HTR2A (0.38) HTR2AHTR2C
SCHEMBL19670352 0.79 HTR2C (0.47) HTR2AHTR2CHTR2B

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