SCHEMBL14003014

SCHEMBL14003014

O=C(NC1C2CC3CC(C2)CC1C3)c1nn(C2CCCCC2)c2c1CCCC2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.62
▸ LMNA P02545 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD11B1 P28845 5/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 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
SCHEMBL13871722 0.86 CNR2 (0.47) CNR2LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL2716575 0.85 CNR2 (0.46) CNR2LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL13871367 0.83 CNR2 (0.45) CNR2LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL13871388 0.83 CNR2 (0.60) CNR2LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL13871503 0.82 CNR2 (0.44) CNR2LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL13871504 0.82 CNR2 (0.44) CNR2LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL13871509 0.82 CNR2 (0.44) CNR2LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL13871341 0.82 CNR2 (0.43) CNR2LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL14003015 0.82 CNR2 (0.53) CNR2ALDH1A1SMN1; SMN2CNR1NPC1
SCHEMBL13871360 0.82 CNR2 (0.43) CNR2LMNAHPGDALDH1A1SMN1; SMN2

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
US-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 — — US disclosed
US-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 — — US disclosed
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