SCHEMBL23770846

SCHEMBL23770846

Cc1ccccc1-c1nc(NSc2cccc(N3CCNCC3C(=O)O)n2)ccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.35
HTR2B P41595 8/20 0.35
HTR2A P28223 6/20 0.33
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNK O75909 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
ITGB2 P05107 2/20 0.31
ICAM1 P05362 2/20 0.31
ITGAL P20701 2/20 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
SCHEMBL23770845 0.88 HTR2C (0.39) HTR2CHTR2BHTR2ACCNT1CCNK
SCHEMBL29464547 0.84 HTR2C (0.34) HTR2CHTR2BHTR2AFPR2SCN9A
SCHEMBL29464465 0.84 HTR2C (0.34) HTR2CHTR2BHTR2AFPR2SCN9A
SCHEMBL29464957 0.84 HTR2C (0.34) HTR2CHTR2BHTR2AFPR2SCN9A
SCHEMBL19925202 0.84 HTR2C (0.34) HTR2CHTR2BHTR2AFPR2SCN9A
SCHEMBL19927715 0.84 HTR2C (0.34) HTR2CHTR2BHTR2AFPR2SCN9A
SCHEMBL23770700 0.83 HDAC6 (0.36)
SCHEMBL23770663 0.83 CYP1A2 (0.43) HTR2C
SCHEMBL23770806 0.82 RBP4 (0.36) ITGB2ICAM1ITGAL
SCHEMBL23770674 0.81 MPL (0.38)

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed