SCHEMBL27660751

SCHEMBL27660751

COc1cc(F)ccc1N1CCN[C@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 2/20 0.46
BRD4 O60885 1/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD3 P35462 1/20 0.43
HTR3A P46098 1/20 0.43
HTR6 P50406 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR2C P28335 1/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4573059 0.84 HTR3A (0.48) BRPF1BRD4LMNAALDH1A1DRD2
SCHEMBL25407029 0.82 DRD2 (0.64) BRPF1BRD4LMNAALDH1A1DRD2
SCHEMBL27680822 0.82 DRD2 (0.64) BRPF1BRD4LMNAALDH1A1DRD2
SCHEMBL14922244 0.82 ALDH1A1 (0.48) BRPF1BRD4LMNAALDH1A1HTR2C
SCHEMBL21358963 0.81 LMNA (0.47) LMNAALDH1A1DRD2DRD4HTR3E
SCHEMBL30952471 0.81 LMNA (0.47) LMNAALDH1A1DRD2DRD4HTR3E
SCHEMBL30952442 0.81 LMNA (0.47) LMNAALDH1A1DRD2DRD4HTR3E
SCHEMBL21358968 0.81 LMNA (0.47) LMNAALDH1A1DRD2DRD4HTR3E
SCHEMBL21358964 0.81 LMNA (0.47) LMNAALDH1A1DRD2DRD4HTR3E
SCHEMBL1904404 0.81 ALDH1A1 (0.60) BRPF1BRD4LMNAALDH1A1HTR2C

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
CN-1989106-A N-hydroxyamide derivatives and their use APPLIED RESEARCH SYSTEMS (AN) 2007-06-27 CN claimed
CN-1989106-A N-hydroxyamide derivatives and their use APPLIED RESEARCH SYSTEMS (AN) 2007-06-27 CN disclosed