SCHEMBL4010688

SCHEMBL4010688

O=C(N[C@]1(c2ccccc2)CCCNC1)C1CCC(CO)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.46
SLC6A9 P48067 1/20 0.43
OPRM1 P35372 2/20 0.40
OPRL1 P41146 1/20 0.40
DPP4 P27487 1/20 0.35
SCN9A Q15858 5/20 0.35
LMNA P02545 1/20 0.34
HSD11B1 P28845 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4004722 0.90 SSTR4 (0.46) SSTR4SLC6A9OPRM1OPRL1DPP4
SCHEMBL4552161 0.87 SSTR4 (0.49) SSTR4SLC6A9OPRM1OPRL1DPP4
SCHEMBL4005570 0.87 SSTR4 (0.49) SSTR4SLC6A9OPRM1OPRL1SCN9A
SCHEMBL4007365 0.87 SSTR4 (0.54) SSTR4SLC6A9OPRM1OPRL1SCN9A
SCHEMBL4006087 0.87 SSTR4 (0.54) SSTR4SLC6A9OPRM1OPRL1SCN9A
SCHEMBL4007336 0.86 SSTR4 (0.48) SSTR4SLC6A9OPRM1OPRL1SCN9A
SCHEMBL4004728 0.83 SLC6A9 (0.49) SSTR4SLC6A9OPRM1OPRL1DPP4
SCHEMBL7304625 0.80 SSTR4 (0.53) SSTR4OPRM1OPRL1SCN9AHPGD
SCHEMBL4003526 0.80 SSTR4 (0.45) SSTR4SLC6A9OPRM1OPRL1SCN9A
Hydrochloric Acid SCHEMBL7745884 0.79 SSTR4 (0.52) SSTR4OPRM1OPRL1SCN9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed