SCHEMBL28778952

SCHEMBL28778952

Clc1cccc2n[c]n(CC3CCCNC3)c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
NPY1R P25929 4/20 0.39
ACP1 P24666 2/20 0.37
PRPS1 P60891 1/20 0.37
PIK3CD O00329 3/20 0.37
PIK3R2 O00459 3/20 0.37
PIK3CG P48736 2/20 0.37
IL1B P01584 1/20 0.36
P2RX7 Q99572 1/20 0.36
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
BRD4 O60885 1/20 0.36
PARP1 P09874 1/20 0.35
EED O75530 3/20 0.34

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
SCHEMBL5088880 0.75 PIK3CD (0.45) DRD2NPY1RACP1PIK3CDPIK3R2
SCHEMBL5456475 0.69 DRD2 (0.41) DRD2PIK3CDPIK3R2PIK3CGIL1B
SCHEMBL17186937 0.69 PRMT5 (0.40)
SCHEMBL5000469 0.67 PRMT5 (0.41) PRPS1
SCHEMBL27645127 0.65 EED (0.57) KCNH2EED
SCHEMBL2544813 0.63 LMNA (0.57) NPY1RBRD4
SCHEMBL8566833 0.62 PRMT5 (0.41) PARP1
SCHEMBL8244003 0.60 DRD2 (0.40) DRD2PARP1EED
SCHEMBL7815243 0.60 PRMT5 (0.47) DRD2PRPS1PARP1
SCHEMBL19190735 0.60 PRMT5 (0.45) PIK3CDPIK3R2KCNH2

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
CN-101405000-A 2-imino-benzimidazoles ABBOTT LAB (US) 2009-04-08 CN disclosed