SCHEMBL11260229

SCHEMBL11260229

CC1SCCCNc2ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRA2A P08913 1/20 0.31
PNMT P11086 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTT P42858 1/20 0.31
ERN1 O75460 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30

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
Hydrochloric Acid SCHEMBL11270222 0.98 HTR2A (0.38) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL11275332 0.83 MAPT (0.36) HTR2CCA1CA2MAPTSMN1; SMN2
SCHEMBL11273290 0.82 MEN1 (0.37) HTR2AHTR2CHTR2BMEN1KMT2A
Hydrochloric Acid SCHEMBL11273176 0.81 MAPT (0.35) HTR2CCA1CA2MAPTSMN1; SMN2
SCHEMBL11276985 0.81 CA1 (0.34) CA1CA2
SCHEMBL11262097 0.81 HTR2C (0.39) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL11263563 0.81 HTR2C (0.39) HTR2AHTR2CCA1CA2MAPT
Hydrochloric Acid SCHEMBL11269902 0.80 HTR2C (0.38) HTR2AHTR2CHTR2BCA1CA2
Hydrochloric Acid SCHEMBL11267162 0.80 HTR2C (0.38) HTR2AHTR2CCA1CA2MAPT
Hydrochloric Acid SCHEMBL11275784 0.80 CA1 (0.33) CA1CA2MAPTTDP1HTT

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
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US claimed
US-4328238-A ANTIDEPRESSANTS, ANTISECRETORY, AND ANTIULCER AGENTS SANKYO COMPANY LIMITED (JP) 1982-05-04 US disclosed