SCHEMBL7420674

SCHEMBL7420674

Cc1ccccc1CN1CCN(c2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.77
KDM4E B2RXH2 2/20 0.77
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 2/20 0.66
HTT P42858 1/20 0.66
CYP2A13 Q16696 1/20 0.65
HTR7 P34969 4/20 0.64
ALOX15 P16050 2/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 1/20 0.61
DRD4 P21917 3/20 0.61
DRD2 P14416 2/20 0.60
DRD3 P35462 2/20 0.60
SMO Q99835 1/20 0.60
HPGD P15428 1/20 0.60
ACHE P22303 1/20 0.58
CHRNA7 P36544 1/20 0.58
GLA P06280 1/20 0.56

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
SCHEMBL6412144 0.87 KDM4E (1.00) LMNAKDM4EKMT2AALDH1A1HTT
SCHEMBL6412440 0.84 KDM4E (0.72) LMNAKDM4EKMT2AALDH1A1HTT
SCHEMBL12856255 0.82 KMT2A (0.76) LMNAKDM4EKMT2AALDH1A1CYP2A13
SCHEMBL24403536 0.80 KMT2A (1.00) LMNAKDM4EKMT2AALDH1A1HTT
SCHEMBL11891934 0.80 KMT2A (0.73) LMNAKDM4EKMT2AALDH1A1CYP2A13
SCHEMBL329437 0.80 KMT2A (0.72) LMNAKDM4EKMT2AALDH1A1CYP2A13
SCHEMBL8162127 0.79 KDM4E (0.66) LMNAKDM4EKMT2AALDH1A1HTT
SCHEMBL7424306 0.79 HTR7 (0.69) LMNAKDM4EKMT2AALDH1A1HTT
SCHEMBL4108854 0.79 CYP2A13 (1.00) LMNAKDM4EKMT2AALDH1A1CYP2A13
SCHEMBL1882777 0.78 KMT2A (0.70) LMNAKDM4EKMT2AALDH1A1CYP2A13

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
WO-1998008091-A1 NORMALIZATION OF COMBINATORIAL REACTIONS ISIS PHARMACEUTICALS, INC. (US) 1998-02-26 WO disclosed
WO-1997044334-A2 NOVEL PIPERAZINE OR HOMOPIPERAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THEIR PREPARATION EGIS Gyógyszergyár Rt. (HU) 1997-11-27 WO disclosed