SCHEMBL31751095

SCHEMBL31751095

CC(C)(C)OC(=O)N(C(=N)N)C(=O)Cc1c(Cl)ccc2c1c(C1CC1)nn2C1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.32
▸ RET P07949 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30
▸ CNR1 P21554 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
SCHEMBL31751088 0.79 RXRA (0.35) DGAT2RETCNR1
SCHEMBL31750192 0.73 — —
SCHEMBL31750165 0.71 RXRA (0.37) DGAT2RETCCNA2CDK2CCNA1
SCHEMBL31750162 0.71 POLB (0.30) —
SCHEMBL31751081 0.70 RXRA (0.36) DGAT2CCNA2CDK2CCNA1CDK5
SCHEMBL31750777 0.69 RXRA (0.36) DGAT2
SCHEMBL31750246 0.69 SLC16A3 (0.33) —
SCHEMBL31750490 0.68 RXRA (0.35) DGAT2
SCHEMBL31750397 0.67 GAA (0.33) CDK2
SCHEMBL31750474 0.67 HTR2C (0.30) HTR2CSLC6A4

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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