SCHEMBL29280306

SCHEMBL29280306

O=C(O)c1ccc2ccn(-c3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.49
MGLL Q99685 1/20 0.47
SCN9A Q15858 1/20 0.47
TEAD1 P28347 1/20 0.46
TEAD4 Q15561 1/20 0.46
TEAD2 Q15562 1/20 0.46
TEAD3 Q99594 1/20 0.46
PTPN1 P18031 1/20 0.43
SETD7 Q8WTS6 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CDC7 O00311 1/20 0.41
CDK2 P24941 1/20 0.41
EPHX2 P34913 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL122436 0.89 MGLL (0.57) SRD5A2MGLLTEAD1TEAD4TEAD2
SCHEMBL25998844 0.86 MRGPRX4 (0.57) SRD5A2RXRARXRBRXRGKCNH2
SCHEMBL30201463 0.85 SCN9A (0.60) MGLLSCN9AF2F10PRSS1
SCHEMBL30201454 0.83 FGFR1 (0.55) SCN9AF2F10PRSS1FGFR1
SCHEMBL24950460 0.83 FGFR1 (0.55) SCN9AF2F10PRSS1FGFR1
SCHEMBL31312713 0.83 F2 (0.42) SRD5A2MGLLSCN9ACES2CES1
SCHEMBL30201485 0.82 SCN9A (0.48) SCN9ACDC7CDK2F2F10
SCHEMBL25041611 0.80 TEAD1 (0.51) SRD5A2MGLLTEAD1TEAD4TEAD2
SCHEMBL2610308 0.76 MGLL (0.53) MGLLTEAD1TEAD4TEAD2TEAD3
SCHEMBL29892816 0.76 KCNH2 (0.58) SRD5A2MGLLTEAD1TEAD4TEAD2

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
CN-117729914-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2024-03-19 CN disclosed
WO-2023009330-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2023-02-02 WO disclosed