SCHEMBL20436348

SCHEMBL20436348

CCN1c2ccc(C)cc2CS1(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 3/20 0.49
BMPR1A P36894 3/20 0.49
TGFBR1 P36897 3/20 0.49
ACVRL1 P37023 3/20 0.49
ACVR1 Q04771 3/20 0.49
ALDH1A1 P00352 1/20 0.41
NOTUM Q6P988 1/20 0.38
AADAT Q8N5Z0 1/20 0.36
SRD5A1 P18405 3/20 0.35
KDM4E B2RXH2 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
POLB P06746 1/20 0.33
PDE5A O76074 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33

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
SCHEMBL22655299 0.83 BMPR1B (0.50) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL23612415 0.82 BMPR1B (0.52) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL13234005 0.80 BMPR1B (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL23589283 0.80 BMPR1B (0.45) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL16421341 0.79 BMPR1B (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL24567751 0.79 PER2 (0.50) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20436349 0.75 BMPR1B (0.44) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL20424522 0.74 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL17310455 0.73 BMPR1B (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL16421336 0.68 MAPT (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 WO disclosed