SCHEMBL31203182

SCHEMBL31203182

CC(C)(C)c1ccc(Cn2ccc3c(Br)ccc(C(=O)NC4CC5(CCC5)C4)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 15/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CNR1 P21554 7/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ EPHX2 P34913 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ PTGER4 P35408 2/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGER1 P34995 1/20 0.34

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
SCHEMBL31203142 0.91 CNR2 (0.41) CNR2MEN1KMT2ACNR1EPHX2
SCHEMBL31203160 0.91 CNR2 (0.37) CNR2MEN1KMT2ACNR1HDAC3
SCHEMBL21458209 0.90 PTGER4 (0.44) CNR2MEN1KMT2ACNR1HDAC3
SCHEMBL31203119 0.90 PTGER4 (0.44) CNR2MEN1KMT2ACNR1HDAC3
SCHEMBL21458254 0.89 CYP3A4 (0.38) CNR2MEN1KMT2ACNR1HDAC3
SCHEMBL31203148 0.88 CNR2 (0.40) CNR2MEN1KMT2ACNR1HDAC3
SCHEMBL26613243 0.84 MEN1 (0.43) CNR2MEN1KMT2ACNR1HDAC3
SCHEMBL21481757 0.82 CNR1 (0.41) CNR2MEN1KMT2ACNR1HDAC3
SCHEMBL21458214 0.80 PTGER4 (0.47) CNR2MEN1KMT2ACNR1EPHX2
SCHEMBL21458212 0.80 PTGER4 (0.45) CNR2MEN1KMT2ACNR1HDAC3

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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