SCHEMBL19749032

SCHEMBL19749032

CC1N(C2CCCCC2)c2ccccc2N1C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.45
OPRM1 P35372 5/20 0.45
OPRK1 P41145 5/20 0.45
SLC18A3 Q16572 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PARP1 P09874 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2B6 P20813 1/20 0.36

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
SCHEMBL21289128 0.81 SLC18A3 (0.44) OPRL1OPRM1OPRK1SLC18A3ALDH1A1
SCHEMBL18088246 0.76 OPRL1 (0.35) OPRL1OPRM1OPRK1ALDH1A1TSHR
SCHEMBL1869057 0.76 HTR2A (0.55) OPRL1OPRM1OPRK1ALDH1A1LMNA
SCHEMBL13276577 0.76 HTR2A (0.55) OPRL1OPRM1OPRK1ALDH1A1LMNA
SCHEMBL17169559 0.75 TSHR (0.34) OPRL1OPRM1OPRK1ALDH1A1TSHR
SCHEMBL17169599 0.73 ALDH1A1 (0.40) OPRL1OPRM1OPRK1ALDH1A1LMNA
SCHEMBL30530617 0.73 MEN1 (0.40) OPRL1OPRM1OPRK1ALDH1A1LMNA
SCHEMBL17169565 0.73 PDE9A (0.34) OPRL1OPRM1OPRK1SLC18A3ALDH1A1
SCHEMBL17169586 0.72 C5AR1 (0.34) OPRL1OPRM1OPRK1ALDH1A1TSHR
SCHEMBL24226530 0.71 TSHR (0.39) OPRL1OPRM1OPRK1SLC18A3ALDH1A1

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
US-9853229-B2 Organic electroluminescent materials and devices UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-12-26 US disclosed