SCHEMBL7768606

SCHEMBL7768606

CC(C)(C(N)=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
TSHR P16473 3/20 0.56
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 3/20 0.56
GAA P10253 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
HTR1D P28221 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
SCHEMBL10294005 0.83 ALDH1A1 (0.62) LMNATSHRALDH1A1HTTNPSR1
SCHEMBL8691047 0.82 LMNA (0.58) LMNATSHRALDH1A1HTTNPSR1
SCHEMBL28226906 0.81 ALDH1A1 (0.77) LMNATSHRALDH1A1HTTNPSR1
SCHEMBL18701879 0.80 LMNA (0.64) LMNATSHRALDH1A1HTTNPSR1
SCHEMBL13923614 0.79 LMNA (0.67) LMNATSHRALDH1A1HTTNPSR1
SCHEMBL27896818 0.79 LMNA (0.71) LMNATSHRALDH1A1HTTNPSR1
SCHEMBL631027 0.77 LMNA (0.70) LMNATSHRALDH1A1HTTNPSR1
SCHEMBL30087641 0.77 ADRA2C (0.53) LMNATSHRALDH1A1HTTNPSR1
SCHEMBL31381163 0.77 NOTUM (0.70) LMNATSHRALDH1A1HTTNPSR1
SCHEMBL11278842 0.76 SIGMAR1 (0.62) LMNATSHRALDH1A1POLBSMN1; 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