SCHEMBL6937024

SCHEMBL6937024

CN(C)C(c1ccc(Cl)cc1)C1CCCCC1(O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.39
UTS2R Q9UKP6 6/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
CNR2 P34972 1/20 0.37
SLC6A2 P23975 1/20 0.37
CCR1 P32246 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TRPA1 O75762 2/20 0.35
CNR1 P21554 1/20 0.34
TACR2 P21452 1/20 0.34
TACR1 P25103 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
SCHEMBL6939785 0.88 SLC6A2 (0.41) OPRL1SLC6A4SLC6A3SLC6A2CCR1
SCHEMBL6936962 0.86 SLC6A4 (0.40) OPRL1UTS2RSLC6A4SLC6A3SLC6A2
SCHEMBL5846308 0.86 CCR5 (0.38) OPRL1SLC6A4SLC6A3SLC6A2CCR1
Hydrochloric Acid SCHEMBL5847559 0.85 CCR5 (0.37) OPRL1SLC6A4SLC6A3SLC6A2CCR1
SCHEMBL6939057 0.82 SLC6A4 (0.42) OPRL1UTS2RSLC6A4SLC6A3SLC6A2
SCHEMBL6934438 0.81 OPRK1 (0.40) SLC6A4SLC6A2
SCHEMBL6937455 0.80 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6939734 0.80 SLC6A3 (0.35) SLC6A4SLC6A3SLC6A2TRPA1TACR2
SCHEMBL6939083 0.79 SLC6A2 (0.41) SLC6A4SLC6A3SLC6A2
SCHEMBL6937438 0.79 SLC6A2 (0.41) OPRL1SLC6A4SLC6A3SLC6A2TRPA1

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