SCHEMBL7768030

SCHEMBL7768030

CC(CC(=O)N1CCCC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
MAPT P10636 7/20 0.52
HTT P42858 3/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
GFER P55789 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 2/20 0.49
PANK3 Q9H999 1/20 0.49
ADAMTS5 Q9UNA0 2/20 0.47
MMP2 P08253 1/20 0.47
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
CCR1 P32246 1/20 0.46
POLB P06746 1/20 0.46
CCR3 P51677 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL7763392 0.84 MAPT (0.52) RAB9AMAPTHTTMAPK1SMN1; SMN2
SCHEMBL3765245 0.79 RAB9A (0.55) RAB9AMAPTHTTMAPK1SMN1; SMN2
SCHEMBL7760584 0.78 MAPT (0.49) RAB9AMAPTHTTMAPK1SMN1; SMN2
SCHEMBL3763190 0.77 RAB9A (0.58) RAB9AMAPTHTTMAPK1SMN1; SMN2
SCHEMBL18375965 0.76 RAB9A (0.79) RAB9AMAPTHTTMAPK1SMN1; SMN2
SCHEMBL11955710 0.74 MAPT (0.59) RAB9AMAPTHTTMAPK1SMN1; SMN2
SCHEMBL14452412 0.73 RAB9A (0.67) RAB9AMAPTHTTMAPK1SMN1; SMN2
SCHEMBL268788 0.73 RAB9A (0.67) RAB9AMAPTHTTMAPK1SMN1; SMN2
SCHEMBL7768029 0.72 MAPT (0.56) RAB9AMAPTHTTMAPK1SMN1; SMN2
SCHEMBL26288759 0.72 MAPT (0.63) RAB9AMAPTHTTMAPK1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104413-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM ELI LILLY AND COMPANY LIMITED (GB) 2001-06-06 EP disclosed
WO-2000008006-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM ELI LILLY AND COMPANY LIMITED (GB) 2000-02-17 WO disclosed