SCHEMBL31751081

SCHEMBL31751081

N=C(N)NC(=O)Cc1c(Cl)ccc2c1c(Br)nn2C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.34
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ IL1B P01584 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL31750165 0.91 RXRA (0.37) RXRARXRBRXRGDGAT2CCNA2
SCHEMBL31750488 0.87 RXRA (0.35) RXRARXRBRXRGDGAT2CCNA2
SCHEMBL31750490 0.80 RXRA (0.35) RXRARXRBRXRGDGAT2GAA
SCHEMBL31190852 0.71 DGAT2 (0.40) RXRARXRBRXRGDGAT2IL1B
SCHEMBL31586782 0.70 RET (0.40) RXRARXRBRXRGDGAT2
SCHEMBL31750777 0.70 RXRA (0.36) RXRARXRBRXRGDGAT2GAA
SCHEMBL31751088 0.68 RXRA (0.35) RXRARXRBRXRGDGAT2
SCHEMBL4079306 0.68 NPC1 (0.41) RXRARXRBRXRGDGAT2CNR2
SCHEMBL31105938 0.67 GAA (0.40) RXRARXRBRXRGDGAT2GAA
SCHEMBL31750398 0.67 P2RX7 (0.34) P2RX7

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
WO-2025262250-A1 GUANFACINE DERIVATIVES AND THEIR USES NEGIO THERAPEUTICS (BE) 2025-12-26 — — WO disclosed
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