SCHEMBL434855

SCHEMBL434855

O=C(NCC(C1CCOCC1)N1CCCC1)C1(c2ccc3oc(=O)[nH]c3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.38
TRPV1 Q8NER1 2/20 0.34
OPRD1 P41143 3/20 0.33
PIK3CA P42336 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 2/20 0.33
MCHR2 Q969V1 1/20 0.33
MCHR1 Q99705 1/20 0.33
CYP2D6 P10635 1/20 0.33
MTOR P42345 1/20 0.32
CYP3A4 P08684 2/20 0.31
CALCRL Q16602 2/20 0.31
CTSC P53634 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL435124 0.93 TRPV1 (0.36) TRPA1TRPV1OPRD1PIK3CAOPRM1
SCHEMBL15380879 0.81 TRPV1 (0.39) TRPV1OPRD1PIK3CAOPRM1OPRK1
SCHEMBL436051 0.77 KDM4E (0.36) TRPV1OPRK1CYP2D6CYP3A4MEN1
SCHEMBL10084062 0.76 MEN1 (0.44) TRPV1KCNH2MCHR2MCHR1CYP2D6
SCHEMBL432562 0.74 NOS3 (0.40) TRPA1CYP2D6CYP3A4MEN1KMT2A
SCHEMBL10084067 0.74 TRPV1 (0.41) TRPV1OPRD1PIK3CAOPRM1OPRK1
SCHEMBL434043 0.72 HTT (0.42) CYP2D6CYP3A4MEN1KMT2A
SCHEMBL434121 0.70 KCNH2 (0.37) TRPV1OPRD1OPRM1OPRK1KCNH2
SCHEMBL434120 0.70 KCNH2 (0.37) TRPV1OPRD1OPRM1OPRK1KCNH2
SCHEMBL434875 0.70 TRPV1 (0.42) TRPV1SMYD3KMT2A

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-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO claimed