Sugi Predict

Sugi Predict / Compounds / SCHEMBL3470486

SCHEMBL3470486

SCHEMBL3470486

O=C(NC1CCC1)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(F)c1.O=C(O)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.39
▸ CNR2 P34972 9/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ IDH1 O75874 1/20 0.37

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
SCHEMBL176427 0.97 CNR1 (0.41) CNR1CNR2TP53MAPTALDH1A1
SCHEMBL176688 0.96 CNR1 (0.41) CNR1CNR2TP53MAPTALDH1A1
SCHEMBL176691 0.96 CNR1 (0.41) CNR1CNR2TP53MAPTALDH1A1
SCHEMBL176721 0.94 ALDH1A1 (0.41) CNR1CNR2TP53MAPTALDH1A1
SCHEMBL4209459 0.91 FABP4 (0.41) CNR2ALDH1A1LMNA
SCHEMBL4215053 0.91 FABP4 (0.41) CNR2ALDH1A1LMNA
SCHEMBL3469275 0.91 FABP4 (0.41) CNR2ALDH1A1LMNA
SCHEMBL176833 0.87 POLB (0.43) CNR1CNR2
SCHEMBL176743 0.86 EPHX2 (0.47) CNR1CNR2MAPT
SCHEMBL176414 0.86 NPC1 (0.44) CNR1CNR2

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-2139328-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-01-06 — — EP claimed
WO-2008115705-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-25 — — WO claimed