SCHEMBL4005563

SCHEMBL4005563

O=C(C1CCC1)N(c1ccncc1)[C@]1(c2ccccc2)CCCNC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OPRL1 P41146 7/20 0.32
OPRM1 P35372 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CCR5 P51681 1/20 0.31
HTT P42858 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL4004182 0.89 HTT (0.40) OPRL1OPRM1HTTCHRM3HTR2A
SCHEMBL4007004 0.89 PTGIR (0.34) LMNAOPRL1OPRM1CCR5HTT
SCHEMBL4298027 0.76 OPRL1 (0.42) OPRL1OPRM1CHRM3
SCHEMBL7314223 0.65 OPRL1 (0.48) OPRL1OPRM1
SCHEMBL4003534 0.64 PSEN1 (0.37) LMNANPSR1SMN1; SMN2
SCHEMBL4966357 0.63 ITGB1 (0.36) LMNAHTT
SCHEMBL7312540 0.62 OPRM1 (0.51) OPRL1OPRM1
SCHEMBL4006087 0.62 SSTR4 (0.54) LMNAOPRL1OPRM1SMN1; SMN2
SCHEMBL4007365 0.62 SSTR4 (0.54) LMNAOPRL1OPRM1SMN1; SMN2
SCHEMBL4962450 0.62 SLC6A1 (0.41) LMNAOPRM1SMN1; SMN2CCR5SLC6A2

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 6 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 claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed
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