SCHEMBL8806604

SCHEMBL8806604

CC(=O)Nc1cccc(OCCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.60
MAPT P10636 1/20 0.58
EPHX2 P34913 3/20 0.57
HTR2A P28223 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HTR1F P30939 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALDH1A1 P00352 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
SCHEMBL8805580 0.87 KDM4E (0.59) DRD2HTR2ALMNASMN1; SMN2KDM4E
SCHEMBL8805772 0.83 DRD2 (0.61) DRD2EPHX2HTR2AKDM4ECYP1A2
SCHEMBL1583103 0.83 KDM4E (0.69) DRD2HTR2AKDM4ECYP1A2CYP3A4
SCHEMBL13904318 0.82 HRH3 (0.73) DRD2HTR2AKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7407551 0.81 KDM4E (0.67) DRD2HTR2AKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7407548 0.81 KDM4E (0.67) DRD2HTR2AKDM4ECYP1A2CYP3A4
SCHEMBL8807468 0.81 DRD2 (0.58) DRD2HTR2AKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7414903 0.81 HRH3 (0.71) DRD2HTR2AKDM4ECYP1A2CYP3A4
SCHEMBL8806802 0.81 DRD2 (0.65) DRD2HTR2AKDM4ECYP1A2CYP3A4
SCHEMBL8808595 0.81 HSD11B1 (0.58) DRD2EPHX2HTR2AKDM4ECYP1A2

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-0751936-A1 NEW 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS MEDICAMENTS ACTING ON THE GLUTAMATE RECEPTOR SCHERING AKTIENGESELLSCHAFT (DE) 1997-01-08 EP disclosed
WO-1995025721-A1 NEW 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS MEDICAMENTS ACTING ON THE GLUTAMATE RECEPTOR SCHERING AKTIENGESELLSCHAFT (DE) 1995-09-28 WO disclosed