SCHEMBL8693564

SCHEMBL8693564

C1=CC2(CCN(CCCCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 2/20 0.58
SIGMAR1 Q99720 5/20 0.52
CCR3 P51677 2/20 0.51
OPRM1 P35372 1/20 0.51
CCR2 P41597 1/20 0.50

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
SCHEMBL6848540 0.91 MCHR2 (0.60) MCHR2SIGMAR1
SCHEMBL7382052 0.82 MCHR2 (0.58) MCHR2SIGMAR1CCR2
SCHEMBL6397901 0.82 MCHR2 (0.53) MCHR2CCR2
SCHEMBL7382222 0.82 MCHR2 (0.62) MCHR2SIGMAR1
SCHEMBL8687744 0.80 SIGMAR1 (0.50) SIGMAR1CCR3OPRM1
SCHEMBL14273918 0.80 HTR1A (0.52)
SCHEMBL13300484 0.79 MCHR2 (0.57) MCHR2CCR2
SCHEMBL3819961 0.77 OPRL1 (0.53) MCHR2OPRM1CCR2
SCHEMBL7442602 0.76 ADRA1D (0.60) SIGMAR1CCR3OPRM1
SCHEMBL3814166 0.76 CCR2 (0.53) MCHR2OPRM1CCR2

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-5807871-A PSYCHOLOGICAL DISORDERS, ALZHEIMER OR PARKINSON DISEASE H. LUNDBECK A/S (DK) 1998-09-15 US disclosed