SCHEMBL21696801

SCHEMBL21696801

NCC1CCC=Cc2cccnc21

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.32

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
SCHEMBL828897 0.80 OPRL1 (0.31) OPRL1
SCHEMBL829205 0.76 P2RX7 (0.32)
SCHEMBL8285564 0.72 CYP11B1 (0.38) OPRL1
SCHEMBL1670992 0.71
SCHEMBL829419 0.71
SCHEMBL3315162 0.70 CXCR4 (0.40) OPRL1
SCHEMBL469266 0.69 CYP19A1 (0.31) OPRL1
SCHEMBL20825128 0.68
SCHEMBL30584967 0.68 CXCR4 (0.46)
SCHEMBL14037800 0.68 CXCR4 (0.46)

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
EP-3608317-A1 COMPOUNDS & METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS & OTHER POLYPEPTIDES BY AN E3 UBIQUITIN LIGASE Yale University (US) 2020-02-12 EP disclosed