SCHEMBL9501994

SCHEMBL9501994

CCCCCCOc1cccc(N2CC[N]CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
PLA2G4B P0C869 1/20 0.46
SMPD1 P17405 3/20 0.45
DRD2 P14416 1/20 0.45
KCNH2 Q12809 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL9579498 0.99 TSHR (0.54) TSHRPLA2G4BDRD2
SCHEMBL9579443 0.84 LTA4H (0.54) TSHRKCNH2THRATHRB
SCHEMBL7348990 0.84 TP53 (0.50) TSHRDRD2KCNH2
SCHEMBL9501962 0.82 LTA4H (0.51) TSHRKCNH2THRATHRB
SCHEMBL13106499 0.80 GRIN1 (0.58) TSHRDRD2KCNH2
SCHEMBL7507055 0.78 NPC1 (0.51) TSHRDRD2
SCHEMBL10898319 0.78 THRA (0.43) TSHRPLA2G4BDRD2THRATHRB
SCHEMBL7511050 0.77 DHFR (0.46) DRD2
SCHEMBL6677146 0.77 TSHR (0.76) TSHRPLA2G4BSMPD1THRATHRB
SCHEMBL4208924 0.77 TSHR (0.76) TSHRPLA2G4BSMPD1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273444-B1 USE OF CARBOXAMIDE COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT FOR TREATING HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1993-05-05 EP disclosed
US-5081112-A Administering an aryl phosphonate carboxamide OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1992-01-14 US disclosed
EP-0273444-A2 Use of carboxamide compounds for the preparation of a medicament for treating hyperlipidemia OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-07-06 EP disclosed