SCHEMBL7310084

SCHEMBL7310084

N#CC(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.63
KDM4E B2RXH2 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
HTR2C P28335 2/20 0.55
HTR7 P34969 2/20 0.55
HTR6 P50406 2/20 0.55
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
Hydrochloric Acid SCHEMBL9377572 0.99 HTR2A (0.62) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9375449 0.86 HTR2A (0.56) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9374560 0.85 HTR2A (0.55) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7298960 0.83 WNT3A (0.50) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9672004 0.81 HTR2A (0.66) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL5760363 0.80 HTR2A (0.61) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL11932544 0.79 HTR2A (0.64) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL11758953 0.79 KCNH2 (0.66) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL11370701 0.78 HTR2A (0.61) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4211202 0.78 HTR2A (1.00) HTR2AKDM4ECYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294183-B1 Use of ethylamine derivatives as antihypertensive agents AJINOMOTO KK (JP) 1994-03-30 EP claimed
EP-0294183-A1 Use of ethylamine derivatives as antihypertensive agents AJINOMOTO CO., INC. (JP) 1988-12-07 EP claimed
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US disclosed
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed