SCHEMBL6848540

SCHEMBL6848540

C1=CC2(CCN(CCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 4/20 0.60
SIGMAR1 Q99720 6/20 0.53
SLC6A3 Q01959 1/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
MCHR1 Q99705 1/20 0.48

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
SCHEMBL8693564 0.91 MCHR2 (0.58) MCHR2SIGMAR1
SCHEMBL7382222 0.85 MCHR2 (0.62) MCHR2SIGMAR1MCHR1
SCHEMBL13300484 0.82 MCHR2 (0.57) MCHR2MCHR1
SCHEMBL3819961 0.81 OPRL1 (0.53) MCHR2
SCHEMBL6397901 0.80 MCHR2 (0.53) MCHR2MCHR1
SCHEMBL7382052 0.80 MCHR2 (0.58) MCHR2SIGMAR1MCHR1
SCHEMBL8012161 0.79 MCHR2 (0.58) MCHR2MCHR1
SCHEMBL4408710 0.78 MCHR2 (0.61) MCHR2SIGMAR1MCHR1
SCHEMBL8472020 0.77 OXTR (0.57) MCHR2
SCHEMBL14445187 0.76 CCR2 (0.65)

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-6828440-B2 Analgesics; side effect reduction EURO-CELTIQUE, S.A. (LU) 2004-12-07 US claimed