SCHEMBL28045235

SCHEMBL28045235

CNC1(c2cccnc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.47
OPRL1 P41146 7/20 0.47
OPRK1 P41145 1/20 0.47
VNN1 O95497 3/20 0.47
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
Hydrochloric Acid SCHEMBL23778979 0.98 OPRM1 (0.46) OPRM1OPRL1OPRK1VNN1HDAC6
SCHEMBL29010349 0.93 P2RX7 (0.42) OPRM1OPRL1OPRK1VNN1HDAC6
SCHEMBL3667011 0.91 P2RX7 (0.41) OPRM1OPRL1OPRK1VNN1HDAC6
SCHEMBL3407459 0.87 VNN1 (0.40) OPRM1OPRL1OPRK1VNN1HDAC6
Hydrochloric Acid SCHEMBL5874164 0.82 VNN1 (0.38) VNN1HDAC6SMN1; SMN2P2RX7
Hydrochloric Acid SCHEMBL5874186 0.82 VNN1 (0.38) VNN1HDAC6SMN1; SMN2P2RX7
SCHEMBL12259419 0.80 VNN1 (0.44) OPRM1OPRL1OPRK1VNN1HDAC6
SCHEMBL29438096 0.79 VNN1 (0.52) VNN1SMN1; SMN2P2RX7
SCHEMBL19322923 0.79 VNN1 (0.52) VNN1SMN1; SMN2P2RX7
SCHEMBL3409814 0.79 ALDH1A1 (0.51) OPRM1OPRL1OPRK1

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-105307651-A Thiazole compound and application thereof ABBVIE INC 2016-02-03 CN disclosed