SCHEMBL19781519

SCHEMBL19781519

COCCOCOc1c(C)cccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
SCN8A Q9UQD0 2/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.38
PTPN1 P18031 1/20 0.38
AR P10275 4/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GCK P35557 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
GAA P10253 1/20 0.32
SCN4A P35499 1/20 0.32

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
SCHEMBL20621316 0.88 TSHR (0.46) TSHRSCN8ASSTR4ARKDM4E
SCHEMBL23269915 0.86 PTPN1 (0.49) TSHRSCN8ASSTR4PTPN1AR
SCHEMBL6389982 0.84 SSTR2 (0.39) SSTR2AREGFRERBB2GAA
SCHEMBL19768976 0.82 NAMPT (0.47) SSTR2ARKDM4EALDH1A1EGFR
SCHEMBL22096809 0.82 SSTR2 (0.38) TSHRSSTR2AREGFRERBB2
SCHEMBL19779792 0.79 NAMPT (0.38) SSTR2AREGFRERBB2
SCHEMBL23491315 0.78 TSHR (0.48) TSHRSCN8ASSTR4ARGCK
SCHEMBL7466903 0.77 AR (0.46) TSHRARKDM4EALDH1A1HPGD
SCHEMBL23817494 0.76 TSHR (0.47) TSHRSCN8ASSTR4ARKDM4E
SCHEMBL16952724 0.76 TSHR (0.50) TSHRSCN8ASSTR4ARALDH1A1

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-2018013676-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2018-01-18 WO disclosed