SCHEMBL8944847

SCHEMBL8944847

COc1ccccc1CN1CCN(C)CC1CC1=NCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.44
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
NISCH Q9Y2I1 4/20 0.41
GNAI3 P08754 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 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
SCHEMBL8944556 0.81 GAA (0.45) ADRA2AKDM4EALDH1A1POLBGNAI3
SCHEMBL8944530 0.72 ALDH1A1 (0.46) ADRA2AKDM4EALDH1A1NISCHGAA
SCHEMBL26078623 0.71 NISCH (0.58) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL8944584 0.70 SIGMAR1 (0.47) ADRA2AADRA2BADRA2CNISCHCYP2D6
SCHEMBL3163869 0.70 KDM4E (0.52) HTR1AADRA2AADRA2BADRA2CKDM4E
SCHEMBL8944628 0.66 ADRA2A (0.41) ADRA2AADRA2BADRA2CALDH1A1NISCH
SCHEMBL8944755 0.65 LMNA (0.40) NISCHKMT2A
SCHEMBL8944681 0.65 MAPK1 (0.43) KDM4EALDH1A1POLBNISCHKMT2A
SCHEMBL13559793 0.64 SIGMAR1 (0.65) HTR1AKDM4EALDH1A1GNAI3KMT2A
SCHEMBL3168567 0.64 NISCH (0.73) HTR1AADRA2AADRA2BADRA2CNISCH

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