SCHEMBL7969931

SCHEMBL7969931

COc1ccc2cc(C3=CCN(Cc4ccccc4)CC3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.62
GAA P10253 1/20 0.62
HTR1A P08908 8/20 0.61
DRD2 P14416 8/20 0.61
POLB P06746 1/20 0.53
HTR2A P28223 2/20 0.52
SIGMAR1 Q99720 4/20 0.50
DRD4 P21917 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL238334 0.90 MEN1 (0.66) MEN1KMT2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL19066024 0.89 MEN1 (0.65) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4827185 0.88 MEN1 (0.71) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6042349 0.87 SIGMAR1 (0.59) MEN1KMT2AGAAHTR1ADRD2
Hydrochloric Acid SCHEMBL6288085 0.87 MEN1 (0.69) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7963190 0.86 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7970649 0.83 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2471217 0.83 KMT2A (0.58) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7964854 0.83 GAA (0.52) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7963874 0.82 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1MAPT

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
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed