SCHEMBL29733437

SCHEMBL29733437

COc1cnc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)cc1OCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.48
ABCB11 O95342 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL1433277 1.00 CNR2 (0.48) CNR2ABCB11PDE4APDE4BPDE4C
SCHEMBL17207630 0.90 CNR2 (0.49) CNR2ABCB11PDE4APDE4BPDE4C
SCHEMBL15764316 0.88 CNR2 (0.47) CNR2ABCB11PDE4APDE4BPDE4C
SCHEMBL72985 0.88 PDE4D (0.59) CNR2ABCB11PDE4APDE4BPDE4C
SCHEMBL17207628 0.83 PDE4A (0.43) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL17201804 0.83 PDE4D (0.55) PDE4APDE4BPDE4CPDE4D
SCHEMBL17207625 0.82 PDE4A (0.42) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL15397615 0.82 PDE4A (0.43) CNR2ABCB11PDE4APDE4BPDE4C
SCHEMBL1978878 0.82 CNR2 (0.50) CNR2CNR1
SCHEMBL1978884 0.81 ABCB11 (0.46) CNR2ABCB11PDE4APDE4BPDE4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025080415-A1 TREATMENT OF NEUROPSYCHIATRIC DISORDERS WITH TILIVAPRAM ALTO NEUROSCIENCE, INC. (US) 2025-04-17 WO disclosed
EP-4281065-A1 ENHANCEMENT OF CAMP SIGNALING AS A COMBINATION DRUG STRATEGY FOR THE TREATMENT OF DEPRESSION AND RELATED CONDITIONS Alto Neuroscience, Inc. (US) 2023-11-29 EP disclosed
WO-2022159632-A1 ENHANCEMENT OF CAMP SIGNALING AS A COMBINATION DRUG STRATEGY FOR THE TREATMENT OF DEPRESSION AND RELATED CONDITIONS ALTO NEUROSCIENCE, INC. (US) 2022-07-28 WO disclosed