SCHEMBL8313862

SCHEMBL8313862

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](C)C(=O)N[C@H](C)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 1.00
CNR2 P34972 4/20 0.67
KCNK3 O14649 1/20 0.67
ALDH1A1 P00352 1/20 0.67
THRB P10828 1/20 0.67
BLM P54132 1/20 0.67
TDP1 Q9NUW8 1/20 0.67

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
SCHEMBL7645975 0.81 CNR1 (1.00) CNR1CNR2KCNK3ALDH1A1BLM
SCHEMBL27641178 0.81 CNR1 (1.00) CNR1CNR2KCNK3ALDH1A1BLM
SCHEMBL12631860 0.80 CNR1 (0.67) CNR1CNR2KCNK3ALDH1A1THRB
Methanandamide SCHEMBL4236530 0.80 CNR2 (1.00) CNR1CNR2KCNK3ALDH1A1THRB
Methanandamide SCHEMBL27775277 0.80 CNR2 (1.00) CNR1CNR2KCNK3ALDH1A1THRB
Methanandamide SCHEMBL338871 0.80 CNR2 (1.00) CNR1CNR2KCNK3ALDH1A1THRB
SCHEMBL13151436 0.80 CNR2 (1.00) CNR1CNR2KCNK3ALDH1A1THRB
SCHEMBL13990799 0.80 CNR2 (0.79) CNR1CNR2KCNK3ALDH1A1THRB
SCHEMBL7992939 0.79 CNR1 (0.64) CNR1CNR2KCNK3ALDH1A1THRB
SCHEMBL7982671 0.79 CNR1 (0.64) CNR1CNR2KCNK3ALDH1A1THRB

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
WO-2004078261-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-09-16 WO disclosed