SCHEMBL300456

SCHEMBL300456

O=C(NCC12CC3CC(CC(C3)C1)C2)c1nn(C2CCCC2)c2c1CCCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 1.00
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
P2RX7 Q99572 6/20 0.41
CNR1 P21554 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
EPHX2 P34913 3/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 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
SCHEMBL13871328 1.00 CNR2 (1.00) CNR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL300369 1.00 CNR2 (1.00) CNR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL10080607 1.00 CNR2 (1.00) CNR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL10080608 1.00 CNR2 (1.00) CNR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL10080611 0.98 CNR2 (0.96) CNR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL13479160 0.87 CNR2 (0.77) CNR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL2711392 0.87 CNR2 (0.77) CNR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL14003094 0.84 CNR2 (0.72) CNR2ALDH1A1MEN1KMT2AHPGD
SCHEMBL10216685 0.83 CNR2 (0.71) CNR2MEN1KMT2ACNR1EPHX2
SCHEMBL300561 0.82 CNR2 (0.70) CNR2ALDH1A1MEN1KMT2AHPGD

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