SCHEMBL3801534

SCHEMBL3801534

[CH2]c1ccccc1C1(CCCCCC)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
CETP P11597 3/20 0.40
SLC6A3 Q01959 7/20 0.38
SLC6A4 P31645 7/20 0.38
SLC6A2 P23975 5/20 0.38
SIGMAR1 Q99720 6/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL3795275 1.00 CNR1 (0.42) CNR1CNR2CETPSLC6A3SLC6A4
SCHEMBL3790072 0.87 SLC6A3 (0.39) CETPSLC6A3SLC6A4SLC6A2
SCHEMBL9359639 0.82 SLC6A3 (0.43) CNR1CNR2CETPSLC6A3SLC6A4
SCHEMBL5680275 0.82 CETP (0.42) CNR1CNR2CETPSLC6A3SLC6A4
SCHEMBL8931548 0.82 SLC6A3 (0.43) CNR1CNR2CETPSLC6A3SLC6A4
SCHEMBL28187956 0.81 CNR2 (0.50) CNR1CNR2CETPSLC6A3SLC6A4
SCHEMBL28984518 0.80 SLC6A3 (0.44) CNR1CNR2CETPSLC6A3SLC6A4
SCHEMBL5678354 0.80 CETP (0.41) CNR1CNR2CETPSLC6A3SLC6A4
SCHEMBL9355996 0.80 HDAC4 (0.47) CNR1CNR2CETPSLC6A3SLC6A4
SCHEMBL28224003 0.80 CNR1 (0.40) CNR1CNR2CETPSLC6A3SLC6A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158111-A1 Compositions and Methods for Depleting Mutant p53 GEORGETOWN UNIVERSITY (US) 2013-06-20 US disclosed
WO-2010065329-A2 NANOPARTICLES FOR CANCER TREATMENT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 WO disclosed
US-20060241178-A1 Compositions and methods for treating lung cancer IMMUNEGUARD LLC (US) 2006-10-26 US disclosed
WO-2004060365-A1 COMPOSITIONS AND METHODS FOR TREATING LUNG CANCER AMERICAN HEALTH FOUNDATION (US) 2004-07-22 WO disclosed