SCHEMBL8314344

SCHEMBL8314344

O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(-c3cccnc3)cc2)c1CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 1.00
CNR2 P34972 8/20 1.00
CYP2C9 P11712 2/20 0.62
GPR55 Q9Y2T6 2/20 0.62
ABCC4 O15439 1/20 0.62
MLNR O43193 1/20 0.62
ABCB11 O95342 1/20 0.62
CHRM2 P08172 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
DRD1 P21728 1/20 0.62
TBXA2R P21731 1/20 0.62
SLC6A2 P23975 1/20 0.62
HRH2 P25021 1/20 0.62
HTR2A P28223 1/20 0.62
AGTR1 P30556 1/20 0.62
CCKAR P32238 1/20 0.62
CCKBR P32239 1/20 0.62
MC4R P32245 1/20 0.62

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
SCHEMBL12053837 0.95 CNR1 (0.91) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL12053646 0.93 CNR1 (0.86) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL7770518 0.90 CNR1 (0.81) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL12053644 0.88 CNR1 (0.80) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL4909775 0.87 CNR1 (0.77) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL2633165 0.87 CNR1 (0.77) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL12053804 0.86 CNR1 (0.85) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL10145280 0.85 CNR1 (0.73) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL4913336 0.85 CNR1 (0.79) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL12053842 0.84 CNR1 (0.72) CNR1CNR2CYP2C9GPR55ABCC4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084467-B2 For both CB1 and CB2 receptor sites; 3-(N-hetero)amido-5-phenyl pyrazoles; memory deficits associated with aging or nervous system disorders, obesity, schizophrenia, septic shock UNIVERSITY OF CONNECTICUT (US) 2011-12-27 US disclosed
US-8084467-B2 For both CB1 and CB2 receptor sites; 3-(N-hetero)amido-5-phenyl pyrazoles; memory deficits associated with aging or nervous system disorders, obesity, schizophrenia, septic shock UNIVERSITY OF CONNECTICUT (US) 2011-12-27 US disclosed
US-7745440-B2 Pyrazole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2010-06-29 US disclosed
US-7745440-B2 Pyrazole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2010-06-29 US disclosed
US-7393842-B2 Pyrazole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2008-07-01 US disclosed
US-7393842-B2 Pyrazole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2008-07-01 US disclosed
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