SCHEMBL7103488

SCHEMBL7103488

CCc1cccc(C#N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
GABRA1 P14867 4/20 0.42
GABRB2 P47870 4/20 0.42
HTR1A P08908 3/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
DRD3 P35462 3/20 0.41
P2RX7 Q99572 4/20 0.40
AR P10275 3/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL27740369 0.82 NPC1 (0.40) XDHP2RX7ARTSHR
SCHEMBL15129482 0.82 PNMT (0.54) XDHP2RX7TSHR
SCHEMBL11240306 0.82 XDH (0.41) XDHHTR2AHTR2CP2RX7AR
SCHEMBL16957570 0.81 XDH (0.41) XDHGABRA1GABRB2P2RX7AR
SCHEMBL8878530 0.80 XDH (0.40) XDHHTR2AHTR2CP2RX7AR
SCHEMBL16960269 0.80 XDH (0.40) XDHHTR2AHTR2CP2RX7AR
SCHEMBL16953236 0.80 XDH (0.43) XDHP2RX7ARTSHRCA1
SCHEMBL16952111 0.80 GABRA1 (0.42) GABRA1GABRB2HTR1ADRD2DRD4
SCHEMBL18007091 0.79 SLC6A4 (0.42) XDHHTR2AP2RX7TSHR
SCHEMBL106062 0.79 TSHR (0.50) GABRA1GABRB2ARTSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355909-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-10-29 EP disclosed
WO-2002062795-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 WO disclosed