SCHEMBL31203502

SCHEMBL31203502

O=C(NC1CC2(CCC2)C1)c1ccc(Cl)c2ccn(Cc3ccc(-c4ccccc4)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 15/20 0.41
▸ CNR1 P21554 10/20 0.41
▸ BMPR1B O00238 1/20 0.38
▸ BMPR1A P36894 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ SLC6A12 P48065 1/20 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
SCHEMBL31203199 0.91 CNR2 (0.39) CNR2CNR1BMPR1BBMPR1ATGFBR1
SCHEMBL31203357 0.91 CNR2 (0.44) CNR2CNR1
SCHEMBL22927215 0.91 CNR2 (0.44) CNR2CNR1
SCHEMBL21458113 0.90 PTGER4 (0.44) CNR2CNR1SLC6A12
SCHEMBL21481845 0.90 PTGER4 (0.44) CNR2CNR1SLC6A12
SCHEMBL31203160 0.86 CNR2 (0.37) CNR2CNR1
SCHEMBL31203326 0.84 CNR2 (0.42) CNR2CNR1
SCHEMBL31203141 0.84 CNR2 (0.37) CNR2CNR1BMPR1BBMPR1ATGFBR1
SCHEMBL31203172 0.84 WDR5 (0.42) CNR2CNR1BMPR1BBMPR1ATGFBR1
SCHEMBL21506646 0.84 CNR2 (0.41) CNR2CNR1BMPR1BBMPR1ATGFBR1

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
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