SCHEMBL19670473

SCHEMBL19670473

CN1C[C@@H](O)CN(C(=O)Nc2cccnc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 16/20 0.51
▸ HTR2A P28223 12/20 0.51
▸ HTR2B P41595 6/20 0.43
▸ CYP1A2 P05177 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CSF1R P07333 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40

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
SCHEMBL19670564 0.86 RHOA (0.46) HTR2CHTR2AHTR2BMAPT
SCHEMBL19365373 0.84 KMO (0.39) HTR2CHTR2ACYP1A2MAPT
SCHEMBL16776360 0.83 HTR2C (0.46) HTR2CHTR2AHTR2BCYP1A2MEN1
SCHEMBL19365254 0.82 HTR2C (0.47) HTR2CHTR2AHTR2BCYP1A2MEN1
SCHEMBL19365498 0.81 HTR2C (0.46) HTR2CHTR2AHTR2BCYP1A2MEN1
SCHEMBL19706027 0.81 RHOA (0.37) KDR
SCHEMBL19670427 0.81 DYRK1A (0.39) MAPK14
SCHEMBL12959003 0.80 HTR2C (0.44) HTR2CHTR2AHTR2BMAPTKIT
SCHEMBL17618814 0.80 HTR2C (0.46) HTR2CHTR2AHTR2BCYP1A2MEN1
SCHEMBL12654500 0.79 CA2 (0.44) HTR2CHTR2AHTR2BCYP1A2KDR

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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