SCHEMBL9650859

SCHEMBL9650859

COc1ccccc1N1CCN(C(=O)c2c[nH]c3ccccc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
LMNA P02545 1/20 0.66
GFER P55789 1/20 0.65
HPGDS O60760 1/20 0.62
ALDH1A1 P00352 2/20 0.60
TSHR P16473 1/20 0.60
EED O75530 1/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 1/20 0.57
DRD2 P14416 1/20 0.57
DRD3 P35462 1/20 0.57
TP53 P04637 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
AVPR1A P37288 1/20 0.56
POLB P06746 2/20 0.56
GLA P06280 1/20 0.55

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
SCHEMBL27254633 0.89 DRD2 (0.60) KMT2AMEN1LMNAHPGDSALDH1A1
SCHEMBL9037358 0.89 DRD2 (0.63) KMT2AMEN1LMNAGFERTSHR
SCHEMBL612482 0.87 AVPR1A (0.77) KMT2AMEN1LMNAHPGDSALDH1A1
SCHEMBL7810111 0.85 GFER (0.60) KMT2AMEN1LMNAGFERHPGDS
SCHEMBL7282092 0.84 MEN1 (0.59) KMT2AMEN1LMNAHPGDSALDH1A1
SCHEMBL27304741 0.83 GFER (0.70) GFERALDH1A1SMN1; SMN2HTTDRD2
SCHEMBL9036535 0.82 MAPT (0.56) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL14758395 0.81 ALDH1A1 (0.81) KMT2AMEN1LMNAHPGDSALDH1A1
SCHEMBL25404667 0.81 MEN1 (0.62) KMT2AMEN1LMNAHPGDSMAPT
SCHEMBL13563662 0.81 ALDH1A1 (0.64) KMT2AMEN1LMNAGFERALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496692-A1 2-Methoxyphenylpiperazine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1992-07-29 EP claimed