SCHEMBL9633280

SCHEMBL9633280

Cc1cccc(C(=O)N2CCC(CO)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
HSD11B1 P28845 1/20 0.60
MGLL Q99685 1/20 0.60
EPHX2 P34913 1/20 0.57
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
AKR1C3 P42330 1/20 0.55
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
UBE2M P61081 1/20 0.53
DCUN1D1 Q96GG9 1/20 0.53

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
SCHEMBL8299183 0.84 FAAH (0.65) HPGDMGLLHTTMEN1KMT2A
SCHEMBL12419 0.84 HPGD (0.62) HPGDHSD11B1MGLLEPHX2HTT
SCHEMBL8054515 0.84 HPGD (0.69) HPGDHSD11B1MGLLEPHX2GABRD
SCHEMBL12977 0.84 HPGD (0.69) HPGDHSD11B1MGLLEPHX2GABRD
SCHEMBL7130857 0.83 HPGD (0.83) HPGDHSD11B1MGLLGABRDGABRA1
SCHEMBL14238822 0.83 HPGD (0.83) HPGDHSD11B1MGLLGABRDGABRA1
SCHEMBL9633319 0.83 HPGD (0.57) HPGDHSD11B1MGLLEPHX2GABRD
SCHEMBL23417312 0.82 HPGD (0.68) HPGDHSD11B1MGLLEPHX2GABRD
SCHEMBL9633335 0.82 HPGD (0.68) HPGDHSD11B1MGLLEPHX2GABRD
SCHEMBL10195735 0.82 KMT2A (0.65) HPGDHSD11B1MGLLEPHX2GABRD

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-5096900-A Antidepressants, anxiolytic agents SYNTHELABO (FR) 1992-03-17 US disclosed
US-5081128-A Antidepressants, anxiolytic agents SYNTHELABO (FR) 1992-01-14 US disclosed
US-4977159-A HYPOTENSIVE AGENTS SYNTHELABO (FR) 1990-12-11 US disclosed
US-4945096-A Treatment of a depressive state with 2-[(4-piperidyl)methyl]-1,2,3,4-tetrahydroisoquinoline derivates SYNTHELABO (FR) 1990-07-31 US disclosed
US-4931449-A 2-((4-piperidyl)methyl)benzofuro(2,3-C)pyridine derivatives, and their application in therapy SYNTHELABO (FR) 1990-06-05 US disclosed
US-4925850-A SLEEP, CARDIOVASCULAR, AND NERVOUS SYSTEM DISORDERS; DIETETICS, ANXIOLYTIC AGENTS SYNTHELABO (FR) 1990-05-15 US disclosed
US-4885302-A 2-((4-Piperidyl)methyl)-1,2,3,4-tetrahydroisoquinoline derivatives, their preparation and their application in therapy SYNTHELABO, 58, RUE DE LA GLACIERE - 75013 PARIS 1989-12-05 US disclosed