SCHEMBL7572963

SCHEMBL7572963

CC(N)[CH]c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.48
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8007285 0.78 HTR2A (0.41) HTR2AMAOACYP2A6LMNAALDH1A1
SCHEMBL315078 0.78 HTR2A (0.41) HTR2ACYP2A6LMNAALDH1A1
SCHEMBL27633315 0.76 HTR2A (0.40) HTR2ACYP2A6LMNAKDM4ECYP2D6
SCHEMBL144446 0.75 HTR2A (0.55) HTR2AMAOA
SCHEMBL7296999 0.75 HTR2A (0.55) HTR2AMAOA
SCHEMBL15421313 0.75 TAAR1 (0.45) SLC6A2TAAR1LMNAHIF1AKDM4E
SCHEMBL144445 0.75 HTR2A (0.55) HTR2AMAOA
SCHEMBL19586405 0.75 HTR2A (0.55) HTR2AMAOA
SCHEMBL11046694 0.74 HTR2A (0.39) HTR2ATAAR1CYP2A6LMNAALDH1A1
SCHEMBL8704500 0.74 HTR2A (0.39) HTR2ATAAR1CYP2A6LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601832-A The medical usage of anti-C-met antibodies-cytotoxic drug conjugate 苏州盛迪亚生物医药有限公司 2018-09-28 CN disclosed
EP-0804427-B1 LTA4 HYDROLASE INHIBITORS SEARLE & CO (US) 2002-09-18 EP disclosed
US-5455271-A Using aromatic amine derivitives as mosquito insecticide THE SCRIPPS RESEARCH INSTITUTE (US) 1995-10-03 US disclosed
WO-1994000420-A1 NOVEL TIGHT-BINDING INHIBITORS OF LEUKOTRIENE A4 HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-06 WO disclosed
US-4031087-A INSECTICIDES SHELL OIL COMPANY (US) 1977-06-21 US disclosed