SCHEMBL19656756

SCHEMBL19656756

CC1CCNc2ccc(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
HTR2A P28223 1/20 0.46
AR P10275 2/20 0.42
PGR P06401 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
F12 P00748 13/20 0.38
F2 P00734 3/20 0.37

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
SCHEMBL2258698 0.81 HTR2C (0.53) HTR2CHTR2AARCA1CA2
SCHEMBL5537547 0.80 AR (0.40) HTR2CARPGRCA1CA2
SCHEMBL31511252 0.79 HTR2B (0.46) HTR2CHTR2AARPGRCA1
SCHEMBL20571939 0.79 HTR2B (0.46) HTR2CHTR2AARPGRCA1
SCHEMBL5537541 0.79 AR (0.39) ARPGR
SCHEMBL31000351 0.79 HTR2B (0.46) HTR2CHTR2AARPGRCA1
SCHEMBL17785801 0.79 HTR2B (0.46) HTR2CHTR2AARPGRCA1
SCHEMBL22050032 0.79 HTR2B (0.46) HTR2CHTR2AARPGRCA1
SCHEMBL19656942 0.79 HTR2C (0.46) HTR2CHTR2AARPGRCA1
SCHEMBL16359911 0.79 F12 (0.40) F12F2

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
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO disclosed