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SCHEMBL300647

SCHEMBL300647

O=C(NCC12CC3CC(CC(C3)C1)C2)c1nn(Cc2ccccc2)c2c1CCCCC2

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.62
▸ CNR1 P21554 2/20 0.49
▸ P2RX7 Q99572 11/20 0.49
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ EPHX2 P34913 2/20 0.43

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
SCHEMBL13871396 0.85 CNR2 (0.59) CNR2CNR1ALDH1A1EPHX2
SCHEMBL300462 0.84 P2RX7 (0.46) CNR2CNR1P2RX7MEN1KMT2A
SCHEMBL300348 0.82 POLB (0.49) CNR2CNR1P2RX7MEN1ALDH1A1
SCHEMBL2714921 0.81 CNR2 (0.44) CNR2CNR1P2RX7MEN1ALDH1A1
SCHEMBL13871330 0.81 POLB (0.49) CNR2CNR1P2RX7MEN1ALDH1A1
SCHEMBL14003125 0.80 CNR1 (0.46) CNR2CNR1P2RX7MEN1ALDH1A1
SCHEMBL13889288 0.80 USP30 (0.48) CNR2CNR1MEN1ALDH1A1KMT2A
SCHEMBL13871399 0.79 CNR2 (0.46) CNR2CNR1ALDH1A1HPGDEPHX2
SCHEMBL13871434 0.78 CNR1 (0.46) CNR2CNR1P2RX7MEN1ALDH1A1
SCHEMBL13871389 0.77 ALDH1A1 (0.58) CNR2CNR1MEN1ALDH1A1KMT2A

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