SCHEMBL7763392

SCHEMBL7763392

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
HTT P42858 4/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 7/20 0.51
RAB9A P51151 1/20 0.50
TP53 P04637 2/20 0.49
PANK3 Q9H999 1/20 0.49
LMNA P02545 3/20 0.49
ALOX12 P18054 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CCR3 P51677 2/20 0.47
CCR1 P32246 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL7768030 0.84 RAB9A (0.56) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL7760584 0.81 MAPT (0.49) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL11955710 0.77 MAPT (0.59) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL2114232 0.77 ADRB1 (0.49) MAPTHTTMAPK1CCR1
SCHEMBL7764320 0.76 AKR1C3 (0.50) MAPTCCR1ALDH1A1KDM4E
SCHEMBL7760522 0.75 SIRT6 (0.54) MAPTHTTSMN1; SMN2TP53LMNA
SCHEMBL7768608 0.75 MAPT (0.60) MAPTHTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL3765245 0.75 RAB9A (0.55) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL26288759 0.75 MAPT (0.63) MAPTHTTMAPK1SMN1; SMN2RAB9A
SCHEMBL626652 0.74 HTR1A (0.67) MAPTHTTMAPK1SMN1; SMN2RAB9A

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