SCHEMBL3916031

SCHEMBL3916031

NCC1(F)CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
LMNA P02545 2/20 0.64
HPGD P15428 1/20 0.64
CYP3A4 P08684 3/20 0.58
GAA P10253 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.54
RBP4 P02753 1/20 0.52
HSD11B1 P28845 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MGLL Q99685 1/20 0.51
HTR1A P08908 1/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL1971597 0.81 CHRM2 (0.54) LMNAHPGDALDH1A1HTR1AUSP2
SCHEMBL14923254 0.79 POLB (0.65) POLBLMNAHPGDCYP3A4GAA
SCHEMBL11480218 0.78 HPGD (1.00) POLBLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL3906981 0.76 MEN1 (0.57) HSD11B1MEN1KMT2AHTR1A
SCHEMBL12953760 0.76 POLB (0.70) POLBLMNAHPGDGAASMN1; SMN2
SCHEMBL14282343 0.76 POLB (0.61) POLBLMNAHPGDCYP3A4GAA
SCHEMBL14223339 0.76 POLB (0.74) POLBLMNAHPGDCYP3A4GAA
SCHEMBL7581128 0.76 POLB (0.74) POLBLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL2295165 0.76 LMNA (0.74) POLBLMNAHPGDCYP3A4GAA
SCHEMBL13503960 0.76 POLB (0.74) POLBLMNAHPGDGAASMN1; SMN2

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
US-7547700-B2 Aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2009-06-16 US disclosed
EP-1539738-B1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL -PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PF MEDICAMENT (FR) 2009-03-04 EP disclosed
EP-1539738-A1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL]-PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2005-06-15 EP disclosed
WO-2003106449-A1 NOVEL ARYL-{4-HALO-4-[HETEROARYLMETHYLAMINO)-METHYL]-PIPERIDIN-1-YL}-METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2003-12-24 WO disclosed