SCHEMBL8944556

SCHEMBL8944556

COc1ccccc1CN1CCN(C)CC1C1=NCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GNAI3 P08754 1/20 0.41
TACR1 P25103 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8944530 0.91 ALDH1A1 (0.46) GAAKMT2AKDM4EALDH1A1ADRA2A
SCHEMBL8944628 0.85 ADRA2A (0.41) KMT2AALDH1A1SMN1; SMN2ADRA2A
SCHEMBL8944755 0.84 LMNA (0.40) KMT2A
SCHEMBL8944681 0.84 MAPK1 (0.43) KMT2AKDM4EALDH1A1POLBCYP2D6
SCHEMBL8944841 0.82 KDM4E (0.45) KMT2AKDM4EALDH1A1POLBMAPK1
SCHEMBL8944813 0.82 NISCH (0.47)
SCHEMBL8944847 0.81 HTR1A (0.44) GAAKMT2AKDM4EALDH1A1POLB
SCHEMBL8944902 0.80 CYP2A13 (0.39) KDM4EALDH1A1POLB
SCHEMBL8944697 0.79 HTR1B (0.49) GAAKMT2AKDM4EALDH1A1POLB
SCHEMBL8944498 0.76 TAAR1 (0.42)

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-0638568-B1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR (FR) 1996-10-09 EP disclosed
US-5500426-A ADMINISTERED TO IMPROVE GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-03-19 US disclosed
US-5492912-A IMPROVES GLUCOSE TOLERANCE ADIR ET COMPAGNIE (FR) 1996-02-20 US disclosed
EP-0638568-A1 Substituted piperazines, their process of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-02-15 EP disclosed