SCHEMBL1286434

SCHEMBL1286434

C=CC(=O)C(CC)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
OPRD1 P41143 9/20 0.36
OPRM1 P35372 6/20 0.33
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
OPRK1 P41145 2/20 0.30
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL28201826 0.87 SIGMAR1 (0.44) SIGMAR1CHRM5CHRM3SLC6A2SLC6A4
SCHEMBL27667325 0.80 SIGMAR1 (0.44) SIGMAR1CHRM5CHRM3OPRD1OPRM1
SCHEMBL1494478 0.78 SIGMAR1 (0.43) SIGMAR1CHRM5CHRM3OPRD1OPRM1
SCHEMBL7590414 0.78 SIGMAR1 (0.43) SIGMAR1CHRM5CHRM3OPRD1OPRM1
SCHEMBL4236955 0.78 SIGMAR1 (0.43) SIGMAR1CHRM5CHRM3OPRD1OPRM1
Hydrochloric Acid SCHEMBL28404227 0.77 SIGMAR1 (0.42) SIGMAR1CHRM5CHRM3OPRD1OPRM1
SCHEMBL29926322 0.77 SIGMAR1 (0.42) SIGMAR1CHRM5CHRM3OPRD1OPRM1
SCHEMBL28706411 0.75 LMNA (0.45) SIGMAR1CHRM5CHRM3OPRD1OPRM1
SCHEMBL6423819 0.75 SIGMAR1 (0.41) SIGMAR1CHRM5CHRM3OPRD1OPRM1
SCHEMBL28716337 0.75 LMNA (0.45) SIGMAR1CHRM5CHRM3OPRD1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012178071-A9 DEVICE AND METHODS FOR TEMPERATURE AND HUMIDITY MEASUREMENTS USING A NANOCOMPOSITE FILM SENSOR BROWN UNIVERSITY (US) 2013-02-21 WO claimed
WO-2012178071-A2 DEVICE AND METHODS FOR TEMPERATURE AND HUMIDITY MEASUREMENTS USING A NANOCOMPOSITE FILM SENSOR BROWN UNIVERSITY (US) 2012-12-27 WO claimed
WO-1997022638-A1 COMPOSITIONS AND PROCESSES FOR TREATING SUBTERRANEAN FORMATIONS PHILLIPS PETROLEUM COMPANY (US) 1997-06-26 WO claimed
EP-2624875-A1 TIME-SELECTIVE BIORESORBABLE OR COLLAPSIBLE DRUG DELIVERY SYSTEMS AND METHODS Taris Biomedical, Inc. (US) 2013-08-14 EP disclosed
US-20120089122-A1 TIME-SELECTIVE BIORESORBABLE OR COLLAPSIBLE DRUG DELIVERY SYSTEMS AND METHODS TARIS BIOMEDICAL, INC. (US) 2012-04-12 US disclosed
WO-2012048114-A1 TIME-SELECTIVE BIORESORBABLE OR COLLAPSIBLE DRUG DELIVERY SYSTEMS AND METHODS TARIS BIOMEDICAL, INC. (US) 2012-04-12 WO disclosed
WO-1997022638-A1 COMPOSITIONS AND PROCESSES FOR TREATING SUBTERRANEAN FORMATIONS PHILLIPS PETROLEUM COMPANY (US) 1997-06-26 WO disclosed