SCHEMBL300348

SCHEMBL300348

CC(NC(=O)c1nn(Cc2ccccc2)c2c1CCCCC2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
P2RX7 Q99572 2/20 0.47
EPHX2 P34913 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR2 P34972 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MITF O75030 1/20 0.41
CNR1 P21554 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL13871330 0.99 POLB (0.49) POLBP2RX7EPHX2ALDH1A1SMN1; SMN2
SCHEMBL14003128 0.86 P2RX7 (0.46) POLBP2RX7EPHX2ALDH1A1SMN1; SMN2
SCHEMBL300492 0.85 POLB (0.43) POLBP2RX7EPHX2ALDH1A1SMN1; SMN2
SCHEMBL13871396 0.82 CNR2 (0.59) EPHX2ALDH1A1SMN1; SMN2CNR2NPSR1
SCHEMBL300647 0.82 CNR2 (0.62) P2RX7EPHX2ALDH1A1CNR2MEN1
SCHEMBL2713702 0.82 CNR2 (0.47) POLBP2RX7EPHX2ALDH1A1SMN1; SMN2
SCHEMBL10218829 0.82 POLB (0.42) POLBP2RX7EPHX2ALDH1A1SMN1; SMN2
SCHEMBL300505 0.81 SIGMAR1 (0.46) EPHX2ALDH1A1SMN1; SMN2CNR2MEN1
SCHEMBL14003141 0.81 SIGMAR1 (0.46) EPHX2ALDH1A1SMN1; SMN2CNR2MEN1
SCHEMBL14003143 0.81 SIGMAR1 (0.46) EPHX2ALDH1A1SMN1; SMN2CNR2MEN1

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
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed