SCHEMBL6452006

SCHEMBL6452006

CCCCCC1CC[C@@H]2C[C@H](c3ccc(C4NC(C)(C)CO4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.31
HTR1A P08908 6/20 0.30
DRD1 P21728 6/20 0.30
DRD4 P21917 6/20 0.30
DRD5 P21918 6/20 0.30
DRD3 P35462 6/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
DRD2 P14416 5/20 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
SCHEMBL6452013 1.00 OPRL1 (0.31) OPRL1HTR1ADRD1DRD4DRD5
SCHEMBL6460311 0.99 HTR1A (0.31) OPRL1HTR1ADRD1DRD4DRD5
SCHEMBL6453441 0.99 HTR1A (0.31) OPRL1HTR1ADRD1DRD4DRD5
SCHEMBL6460307 0.99 HTR1A (0.31) OPRL1HTR1ADRD1DRD4DRD5
SCHEMBL6453435 0.99 HTR1A (0.31) OPRL1HTR1ADRD1DRD4DRD5
SCHEMBL6460343 0.97 TP53 (0.32) OPRL1TP53POLBMAPT
SCHEMBL6460334 0.97 TP53 (0.32) OPRL1TP53POLBMAPT
SCHEMBL6451851 0.93 OPRL1 (0.32) OPRL1
SCHEMBL6451848 0.93 OPRL1 (0.32) OPRL1
SCHEMBL6457272 0.89 OPRL1 (0.31) OPRL1

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
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed