SCHEMBL6930440

SCHEMBL6930440

O=C(NC1CCCCC1)c1ccccc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
KDM4E B2RXH2 1/20 0.63
HTT P42858 1/20 0.63
PTGES O14684 9/20 0.62
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
GAA P10253 3/20 0.57
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
EPHX2 P34913 1/20 0.54

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
SCHEMBL30681561 0.92 LMNA (0.62) LMNANPC1RAB9AALDH1A1HPGD
SCHEMBL1819622 0.92 LMNA (0.62) LMNANPC1RAB9AALDH1A1HPGD
SCHEMBL28701763 0.86 ALDH1A1 (0.54) LMNANPC1RAB9AALDH1A1HPGD
SCHEMBL13310656 0.83 RAB9A (0.63) LMNANPC1RAB9AALDH1A1HPGD
SCHEMBL3771553 0.83 KCNK3 (0.63) PTGESEPHX2
SCHEMBL4755705 0.82 DPP4 (0.60) LMNANPC1ALDH1A1PTGESMEN1
SCHEMBL30666379 0.82 ALDH1A1 (0.77) LMNANPC1RAB9AALDH1A1HPGD
SCHEMBL10212118 0.82 DPP4 (0.52) PTGES
SCHEMBL13310657 0.80 RAB9A (0.59) LMNANPC1RAB9AALDH1A1HPGD
SCHEMBL12181533 0.80 NPC1 (0.69) LMNANPC1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000047-B1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI CHEM PHARM (CH) 2003-12-17 EP disclosed
EP-1000047-A1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP disclosed
WO-1999006384-A1 1-(N-PHENYLAMINOALKYL)-PIPERAZINE DERIVATIVES SUBSTITUTED AT POSITION 2 OF THE PHENYL RING RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO disclosed