SCHEMBL6139903

SCHEMBL6139903

CC1(C)CCCC(O)(c2ccc(CC=O)cc2)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL6139900 0.75 L3MBTL1 (0.36)
SCHEMBL27466440 0.75 MAPT (0.39)
SCHEMBL28749741 0.72 JAK2 (0.31) JAK2JAK1
SCHEMBL3133794 0.71 MMP2 (0.47) HRH3FFAR4SLC6A3
SCHEMBL20267018 0.68 OPRL1 (0.54) HSD11B1HRH3OPRM1OPRD1OPRK1
SCHEMBL11246572 0.66 HRH3 (0.40) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL20300595 0.64 DRD2 (0.41) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL6482123 0.64 ABAT (0.43) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL15524912 0.64 HRH3 (0.41) HSD11B1HRH3OPRM1OPRD1OPRK1
SCHEMBL27890202 0.64 ALDH5A1 (0.43) HRH3

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-1196403-B1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI AVENTIS (FR) 2005-11-09 EP disclosed
US-6908914-B1 Antipsychotic cyclic N-aralkylamines SANOFI-SYNTHELABO (FR) 2005-06-21 US disclosed