SCHEMBL31344784

SCHEMBL31344784

CCNc1ccccc1C1CCc2cc(OCc3ccccc3)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.49
CYP2D6 P10635 3/20 0.47
HRH1 P35367 1/20 0.47
FAAH O00519 9/20 0.46
BACE1 P56817 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL224674 0.85 DRD2 (0.48)
SCHEMBL224187 0.84 KDM1A (0.49) FAAHKDM1AMAOAMAOB
SCHEMBL227510 0.80 OPRK1 (0.44) CYP2D6MAOAMAOB
SCHEMBL226670 0.78 KDM1A (0.49) FAAHKDM1AMAOAMAOB
SCHEMBL225005 0.78 MCHR1 (0.41)
SCHEMBL227779 0.78 MCHR1 (0.41)
SCHEMBL225006 0.78 MCHR1 (0.41)
SCHEMBL227821 0.77 KDM1A (0.46) HRH3FAAHKDM1AMAOAMAOB
SCHEMBL29171224 0.77 MAOB (0.49) HRH3CYP2D6HRH1FAAHKDM1A
SCHEMBL224509 0.76 DRD2 (0.50)

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
CN-119569588-A Preparation method and intermediate of ilast hydrochloride 杭州诺澳生物医药科技有限公司 2025-03-07 CN disclosed