SCHEMBL9797162

SCHEMBL9797162

CC(C)(N)Cc1cnc2ccccn12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.61
FDPS P14324 1/20 0.61
GPR84 Q9NQS5 1/20 0.47
PKM P14618 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ERCC5 P28715 1/20 0.40
FLT3 P36888 3/20 0.40
SLC6A2 P23975 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SSTR4 P31391 1/20 0.38
HDAC1 Q13547 1/20 0.38
DYRK1A Q13627 1/20 0.38
MIF P14174 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
SCHEMBL12732656 0.87 GGPS1 (0.60) GGPS1FDPSGPR84PKMDRD4
SCHEMBL12806413 0.83 GGPS1 (0.56) GGPS1FDPSGPR84PKMDRD4
SCHEMBL4716835 0.81 GGPS1 (0.58) GGPS1FDPSGPR84PKMDRD4
SCHEMBL14290281 0.78 KDM4E (0.47) GGPS1FDPSPKMFLT3NPC1
SCHEMBL24178777 0.78 GGPS1 (0.51) GGPS1FDPSGPR84PKMDRD4
SCHEMBL2017760 0.78 GGPS1 (0.53) GGPS1FDPSGPR84PKMDRD4
SCHEMBL8360107 0.78 GGPS1 (0.53) GGPS1FDPSGPR84PKMDRD4
SCHEMBL4271794 0.77 GGPS1 (0.65) GGPS1FDPSGPR84PKMDRD4
Hydrochloric Acid SCHEMBL29899404 0.76 GGPS1 (0.51) GGPS1FDPSGPR84PKMDRD4
Minodronic Acid SCHEMBL145238 0.76 FDPS (1.00) GGPS1FDPSGPR84DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448561-B1 BETA 3 ADRENERGIC AGONISTS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-7265127-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-7265127-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-09-04 US disclosed
US-7253181-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-08-07 US disclosed
US-7253181-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-08-07 US disclosed
US-7241772-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-07-10 US disclosed
US-7241772-B2 β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2007-07-10 US disclosed
US-7205407-B2 3-Substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-7205407-B2 3-Substituted oxindole β3 agonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-5001132-A Phenyloxypropanolamine derivatives and their application in therapeutics SYNTHELABO (FR) 1991-03-19 US disclosed
EP-0370852-A1 Phenyloxypropanolamines, their preparation and therapeutical use SYNTHELABO (FR) 1990-05-30 EP disclosed