SCHEMBL6192030

SCHEMBL6192030

C[C@@H](O)CC1CN(Oc2ccccc2F)CCN1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
MLNR O43193 2/20 0.34
PKM P14618 1/20 0.33
CARM1 Q86X55 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PRKCQ Q04759 3/20 0.32
PRKCD Q05655 3/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
KCNH2 Q12809 3/20 0.32
CYP2D6 P10635 2/20 0.32
SLC6A3 Q01959 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PRKCA P17252 1/20 0.31

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
SCHEMBL6195068 0.88 PRKCQ (0.32) PRKCQPRKCDPRKCA
SCHEMBL6193609 0.87 CHRNB4 (0.40) SLC6A2SLC6A4CYP1A2CYP2C19
SCHEMBL5997687 0.70 DRD2 (0.44) SLC6A3
SCHEMBL6192015 0.69 PRKCQ (0.30) PRKCQPRKCD
SCHEMBL6192472 0.69 ACSL1 (0.43) HPGD
SCHEMBL5245519 0.69 LTA4H (0.54) CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL5463927 0.69 LTA4H (0.54) CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL6028968 0.67 CYP3A4 (0.38) CYP3A4
SCHEMBL4866968 0.66 MEN1 (0.50) MLNR
SCHEMBL6185597 0.65 HRH3 (0.39) HPGDMLNRPKMSLC6A2SLC6A4

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-1583751-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS, INC. (US) 2005-10-12 EP disclosed
WO-2004069818-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES CV THERAPEUTICS INC. (US) 2004-08-19 WO disclosed