SCHEMBL24675347

SCHEMBL24675347

CN(C)C(=O)NCC1(C)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.45
OPRL1 P41146 3/20 0.45
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA4 P43681 1/20 0.38
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL13098673 0.77 TSHR (0.44) OPRM1OPRL1CHRNB2CHRNB4CHRNA4
SCHEMBL14964832 0.75 TSHR (0.59) OPRM1OPRL1TSHR
SCHEMBL2343051 0.75
SCHEMBL18214757 0.75
SCHEMBL30130345 0.73 TSHR (0.41) TSHR
SCHEMBL14699658 0.73
SCHEMBL16144295 0.70 OPRM1 (0.38) OPRM1OPRL1KMT2ATSHR
SCHEMBL20462570 0.70 OPRM1 (0.38) OPRM1OPRL1POLBTSHR
SCHEMBL24674956 0.70 OPRM1 (0.41) OPRM1OPRL1TSHR
SCHEMBL26401921 0.68 KMT2A (0.44) OPRM1OPRL1POLBKMT2ATSHR

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-2022223022-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-10-27 WO disclosed