SCHEMBL8017383

SCHEMBL8017383

N#CC1=C(Nc2ccc(Cl)cc2)CCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
LMNA P02545 3/20 0.71
MT-CO2 P00403 1/20 0.42
USP2 O75604 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ALOX15 P16050 1/20 0.39
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
NLRP3 Q96P20 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
GSK3B P49841 1/20 0.36
POLB P06746 2/20 0.35
MAPK1 P28482 2/20 0.35
GRM5 P41594 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL8017798 0.83 MAPT (0.71) MAPTLMNAHTTALDH1A1CYP1A2
SCHEMBL5682845 0.81 MAPT (0.55) MAPTLMNAALOX15TSHRALDH1A1
SCHEMBL8015744 0.79 MAPT (0.66) MAPTLMNAHTTALDH1A1MAPK1
SCHEMBL8006281 0.79 MAPT (0.60) MAPTLMNAMAP2K1HTTALDH1A1
SCHEMBL29152727 0.76 LMNA (0.42) MAPTLMNAHTTALDH1A1CYP1A2
SCHEMBL8022779 0.73 MAPT (0.50) MAPTLMNATSHRALDH1A1CYP1A2
SCHEMBL17339198 0.73 LMNA (0.40) MAPTLMNAHTTALDH1A1CYP1A2
SCHEMBL8006080 0.72 LMNA (0.57) MAPTLMNAHTTTSHRALDH1A1
SCHEMBL8015461 0.72 LMNA (0.57) MAPTLMNAHTTALDH1A1CYP1A2
SCHEMBL8015467 0.67 LMNA (0.50) MAPTLMNAHTTTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6130228-A Polycyclic compounds UNIVERSITY OF STRATHCLYDE (GB) 2000-10-10 US disclosed
EP-0877735-A1 POLYCYCLIC COMPOUNDS University of Strathclyde (GB) 1998-11-18 EP disclosed
WO-1997019929-A1 POLYCYCLIC COMPOUNDS THE UNIVERSITY OF STRATHCLYDE (GB) 1997-06-05 WO disclosed