SCHEMBL4782236

SCHEMBL4782236

CCCCCC1(O)CCN(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
OPRL1 P41146 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CCR1 P32246 1/20 0.36
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
AKR1B1 P15121 1/20 0.33
S1PR4 O95977 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAI1 P63096 1/20 0.33
PTPN7 P35236 1/20 0.33
HMGCR P04035 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4275635 0.81 PKLR (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL21840110 0.79 CYP46A1 (0.40) OPRM1L3MBTL1KMT2AALDH1A1TSHR
SCHEMBL4836593 0.78 GPR4 (0.45) OPRM1OPRD1OPRK1OPRL1
SCHEMBL238639 0.77 PKLR (0.34) ALDH1A1
SCHEMBL5911872 0.76 L3MBTL1 (0.49) OPRM1OPRD1OPRK1OPRL1L3MBTL1
SCHEMBL4437885 0.76
SCHEMBL2141413 0.76 AVPR1A (0.31) ALDH1A1
Bicarbonate SCHEMBL8472938 0.76 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1L3MBTL1
SCHEMBL8048581 0.74 S1PR1 (0.54) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL28026857 0.74 KMT2A (0.37) OPRM1OPRD1OPRK1OPRL1KMT2A

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-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed