SCHEMBL31203444

SCHEMBL31203444

O=C(NC1CC2(CCC2)C1)c1ccc(Cl)c2cnn(Cc3ccc(-c4ccccc4)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.41
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
CNR1 P21554 5/20 0.39
PTGER4 P35408 1/20 0.38
SLC6A12 P48065 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL21506646 1.00 CNR2 (0.41) CNR2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL31203406 0.91 CNR2 (0.44) CNR2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL21458150 0.90 PTGER4 (0.49) CNR2CNR1PTGER4SLC6A12EGLN1
SCHEMBL21482134 0.90 PTGER4 (0.49) CNR2CNR1PTGER4SLC6A12EGLN1
SCHEMBL21481876 0.90 CNR2 (0.41) CNR2CNR1PTGER4SLC6A12EGLN1
SCHEMBL30038185 0.89 CNR2 (0.45) CNR2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL31203526 0.89 PTGER4 (0.39) CNR2CNR1PTGER4SLC6A12EGLN1
SCHEMBL31203137 0.89 CNR2 (0.42) CNR2CNR1
SCHEMBL21458121 0.89 PTGER4 (0.39) CNR2CNR1PTGER4SLC6A12EGLN1
SCHEMBL31203195 0.88 CNR2 (0.48) CNR2BMPR1BBMPR1ATGFBR1ACVRL1

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-3781550-B1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS INC (US) 2024-10-30 EP claimed