SCHEMBL11286375

SCHEMBL11286375

O=C(Cc1ccc(C(F)(F)F)cc1)NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 2/20 0.59
DRD3 P35462 5/20 0.57
DRD2 P14416 5/20 0.57
SIGMAR1 Q99720 2/20 0.56
ALDH1A1 P00352 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
MAPT P10636 2/20 0.55
CYP2C19 P33261 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55
BLM P54132 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
SCHEMBL11290092 0.94 LMNA (0.57) MEN1LMNAKMT2APOLBDRD3
SCHEMBL11289689 0.94 POLB (0.67) MEN1LMNAKMT2APOLBDRD3
SCHEMBL11280042 0.90 LMNA (0.74) MEN1LMNAKMT2APOLBDRD3
SCHEMBL11431119 0.86 DRD3 (0.60) MEN1LMNAKMT2APOLBDRD3
SCHEMBL11286122 0.85 DRD3 (0.56) MEN1LMNAKMT2APOLBDRD3
Hydrochloric Acid SCHEMBL11156556 0.85 ALDH1A1 (0.60) MEN1LMNAKMT2APOLBDRD3
Fluprazine SCHEMBL2110425 0.83 DRD2 (0.62) LMNAPOLBDRD3DRD2SIGMAR1
SCHEMBL8272365 0.83 ALDH1A1 (0.63) MEN1LMNAKMT2APOLBDRD3
Fluprazine SCHEMBL29445768 0.83 DRD2 (0.62) LMNAPOLBDRD3DRD2SIGMAR1
SCHEMBL11288750 0.83 DRD2 (0.58) MEN1LMNAKMT2APOLBDRD3

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-0048045-A1 Phenyl piperazine derivatives having antiagressive activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-03-24 EP disclosed