SCHEMBL10109710

SCHEMBL10109710

CCn1nc2ccc(CN[C@H](C)c3cccc4ccccc34)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.48
HTR2C P28335 3/20 0.41
ADRA2C P18825 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
OPRM1 P35372 2/20 0.41
DRD3 P35462 2/20 0.41
MLNR O43193 1/20 0.41
ABCB11 O95342 1/20 0.41
ADRB1 P08588 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
CHRM3 P20309 1/20 0.41
GLRA1 P23415 1/20 0.41
AVPR2 P30518 1/20 0.41
HRH1 P35367 1/20 0.41
MC3R P41968 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL10109722 0.82 SMN1; SMN2 (0.50) CASRSLC6A2SLC6A4OPRM1DRD3
SCHEMBL541437 0.77 CASR (0.46) CASRHTR2CADRA2CSLC6A2SLC6A4
SCHEMBL541436 0.77 CASR (0.46) CASRHTR2CADRA2CSLC6A2SLC6A4
SCHEMBL15131155 0.77 CASR (0.56) CASRHTR2CADRA2CSLC6A2SLC6A4
SCHEMBL541215 0.77 KMT2A (0.57) CASRHTT
SCHEMBL541216 0.77 KMT2A (0.57) CASRHTT
SCHEMBL13077616 0.76 CASR (0.55) CASRHTR2CADRA2CSLC6A2SLC6A4
SCHEMBL541111 0.76 CASR (0.47) CASRHTR2CADRA2CSLC6A2SLC6A4
SCHEMBL541112 0.76 CASR (0.47) CASRHTR2CADRA2CSLC6A2SLC6A4
SCHEMBL13077650 0.76 CASR (0.54) CASRHTR2CADRA2CSLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509518-B1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC (US) 2012-02-08 EP disclosed
US-7176322-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-02-13 US disclosed
US-7176322-B2 Calcium receptor modulating agents AMGEN INC. (US) 2007-02-13 US disclosed