SCHEMBL10109722

SCHEMBL10109722

CCn1nc2ccc(CN[C@H](C)c3ccccc3)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASR P41180 9/20 0.44
HDAC1 Q13547 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 3/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
SMPD1 P17405 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3932049 0.85 CASR (0.61) SMN1; SMN2MEN1KMT2ACASRLMNA
SCHEMBL10109804 0.85 CASR (0.62) MEN1KMT2ACASRHTTLMNA
SCHEMBL10109710 0.82 CASR (0.48) CASRHTTHTR1AADORA3CHRM1
SCHEMBL14469578 0.74 SMN1; SMN2 (0.82) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL13868585 0.74 CASR (0.62) SMN1; SMN2MEN1KMT2ACASRLMNA
SCHEMBL541312 0.73 NPC1 (0.53) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL541313 0.73 NPC1 (0.53) SMN1; SMN2MEN1KMT2ACASRHTT
SCHEMBL1750017 0.72 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2ACASRHDAC1
SCHEMBL4705737 0.72 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2ACASRHDAC1
SCHEMBL3678776 0.71 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2ACASRHTT

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