SCHEMBL6942516

SCHEMBL6942516

OC1(C(c2ccccc2)C(F)(F)F)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.42
SLC6A4 P31645 1/20 0.42
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM4 P08173 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL2913177 0.76 AKR1C1 (0.34) OPRK1
SCHEMBL596692 0.75 CHRM2 (0.42) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL978448 0.73 CHRM2 (0.41) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL21167253 0.73 CHRM2 (0.41) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL21496090 0.72 SLC6A2 (0.40) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL18428490 0.72 CHRM2 (0.40) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL9717862 0.72 OPRM1 (0.46) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL18428492 0.72 CHRM2 (0.40) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL7105607 0.72 CHRM2 (0.40) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL1153253 0.72 CHRM2 (0.40) SLC6A2SLC6A4CHRM2CHRM1CHRM3

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
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP disclosed