SCHEMBL22014302

SCHEMBL22014302

CC(=O)N1CCC(C)(C(=O)N(CC(=O)Nc2cc3c(cc2C)CC2(C3)c3cccnc3NC2O)Cc2ccccc2CN)CC1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCB P10092 19/20 0.44
ADM2 Q7Z4H4 19/20 0.44

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
SCHEMBL22014303 0.87 ADM2 (0.59) CALCBADM2
SCHEMBL29365924 0.87 ADM2 (0.59) CALCBADM2
SCHEMBL22014280 0.80 ADM2 (0.59) CALCBADM2
SCHEMBL22014047 0.78 ADM2 (0.72) CALCBADM2
SCHEMBL24962060 0.76 ADM2 (0.51) CALCBADM2
SCHEMBL29368434 0.71 ADM2 (0.72) CALCBADM2
SCHEMBL22014188 0.71 ADM2 (0.71) CALCBADM2
SCHEMBL21963937 0.71 ADM2 (0.72) CALCBADM2
SCHEMBL23257341 0.71 ADM2 (0.81) CALCBADM2
SCHEMBL29813707 0.71 ADM2 (0.81) CALCBADM2

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-2020099885-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO disclosed