SCHEMBL12694641

SCHEMBL12694641

Cc1cccc(Cl)c1S(=O)(=O)N1CCCCC1COCC(=O)N1CCC2(CC1)CCC(c1cccs1)(N(C)C)CC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.40
OPRL1 P41146 6/20 0.40
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR1 P32246 3/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3315854 0.89 OPRM1 (0.43) OPRM1OPRL1CCR1
SCHEMBL3315844 0.89 OPRM1 (0.43) OPRM1OPRL1CCR1
SCHEMBL12694729 0.88 BDKRB1 (0.41) OPRM1OPRL1
SCHEMBL5125509 0.83 ATM (0.37) RAB9ALMNAMEN1MAPTKMT2A
SCHEMBL3318811 0.81 OPRM1 (0.38) OPRM1OPRL1
SCHEMBL12694732 0.80 HSD17B10 (0.35) RAB9AMEN1KMT2ACCR1
SCHEMBL3311065 0.78 OPRM1 (0.41) OPRM1OPRL1RAB9A
SCHEMBL3310795 0.77 OPRM1 (0.40) OPRM1OPRL1RAB9A
SCHEMBL3316346 0.76 BDKRB1 (0.40) OPRM1OPRL1
SCHEMBL3316351 0.76 BDKRB1 (0.40) OPRM1OPRL1

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
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US claimed