SCHEMBL4754294

SCHEMBL4754294

COc1c(F)c(F)c(C)c(F)c1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ADRB1 P08588 5/20 0.38
HTR3E A5X5Y0 3/20 0.38
HTR3B O95264 3/20 0.38
HTR3A P46098 3/20 0.38
HTR3D Q70Z44 3/20 0.38
HTR3C Q8WXA8 3/20 0.38
SIGMAR1 Q99720 2/20 0.38
TGFBR1 P36897 4/20 0.37
ACVR1 Q04771 4/20 0.37
ACVR1B P36896 3/20 0.37
KCNH2 Q12809 3/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
HTR6 P50406 1/20 0.36
HTR1A P08908 1/20 0.35

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
SCHEMBL14938158 0.87 LMNA (0.52) LMNAALDH1A1ADRB1HTR3EHTR3B
SCHEMBL3923985 0.80 ALDH1A1 (0.72) LMNAALDH1A1ADRB1HTR3EHTR3B
SCHEMBL8452388 0.69 ALDH1A1 (0.50) LMNAALDH1A1ADRB1HTR6HTR2C
SCHEMBL11295127 0.69 ALDH1A1 (0.42) LMNAALDH1A1ADRB1HTR3EHTR3B
SCHEMBL107339 0.69 HSD17B10 (0.36) CYP2C9
SCHEMBL31651833 0.67 ACVR1 (0.43) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL31651688 0.66 LMNA (0.51) LMNAADRB1HTR3EHTR3BHTR3A
SCHEMBL21359080 0.66 HTR3A (0.49) LMNAADRB1HTR3EHTR3BHTR3A
SCHEMBL14922725 0.66 ADRB1 (0.61) LMNAALDH1A1ADRB1HTR3EHTR3B
SCHEMBL6747109 0.66 PDE10A (0.45) LMNAALDH1A1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed