SCHEMBL3843230

SCHEMBL3843230

NCCC(O)(I)c1cccc(CCC2(O)CCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38
MAPK14 Q16539 1/20 0.34
OPRM1 P35372 4/20 0.33
OPRL1 P41146 3/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
KIF11 P52732 2/20 0.32
SMYD3 Q9H7B4 1/20 0.31
OPRD1 P41143 2/20 0.30
OPRK1 P41145 2/20 0.30
GRM2 Q14416 1/20 0.30
GRM3 Q14832 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
SCHEMBL3839037 0.97 TAAR1 (0.38) TAAR1MAPK14OPRM1OPRL1DRD2
SCHEMBL3836805 0.96 TAAR1 (0.38) TAAR1MAPK14OPRM1OPRL1DRD2
SCHEMBL3836993 0.96 TAAR1 (0.38) TAAR1MAPK14OPRM1OPRL1DRD2
SCHEMBL3836548 0.96 TAAR1 (0.38) TAAR1MAPK14OPRM1OPRL1DRD2
SCHEMBL1710757 0.75 SLC6A4 (0.32)
SCHEMBL1725244 0.74 KDM4E (0.35)
SCHEMBL1710521 0.74 SLC6A4 (0.33)
SCHEMBL1710534 0.73 KDM4E (0.34)
SCHEMBL611371 0.73 MAPK14 (0.41) TAAR1MAPK14OPRM1OPRL1DRD2
SCHEMBL3837584 0.72 AURKA (0.43) TAAR1KIF11SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 EP disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed