SCHEMBL11825969

SCHEMBL11825969

Cc1ccccc1C1CCN(CCN)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.51
KCNH2 Q12809 2/20 0.51
PRMT3 O60678 1/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT1 Q99873 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
DRD2 P14416 4/20 0.49
SLC6A4 P31645 3/20 0.49
HTR2C P28335 2/20 0.49
DRD4 P21917 1/20 0.47
OPRM1 P35372 2/20 0.46
MCHR1 Q99705 1/20 0.45

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
SCHEMBL13376707 0.92 PRMT3 (0.45) OPRL1KCNH2PRMT3CARM1PRMT6
SCHEMBL3436371 0.84 SLC18A3 (0.61) OPRL1KCNH2DRD2SLC6A4HTR2C
SCHEMBL4747037 0.80 DRD2 (0.76) DRD2HTR2CDRD4
SCHEMBL13085385 0.79 HTR2C (0.58) OPRL1KCNH2HTR2CDRD4
SCHEMBL9323878 0.78 SLC6A4 (0.74) OPRL1PRMT3CARM1PRMT6PRMT1
SCHEMBL13450177 0.77 MEN1 (0.67) OPRL1DRD2DRD4OPRM1
SCHEMBL3436370 0.77 DRD4 (0.59) OPRL1KCNH2DRD2HTR2CDRD4
SCHEMBL10276962 0.77 HTR2C (0.47) OPRL1KCNH2DRD2SLC6A4HTR2C
SCHEMBL13999713 0.76 HTR2C (0.47) OPRL1KCNH2DRD2SLC6A4HTR2C
SCHEMBL3554720 0.76 DRD4 (0.52) OPRL1KCNH2DRD2SLC6A4HTR2C

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-3995045-A ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-11-30 US disclosed