SCHEMBL11262097

SCHEMBL11262097

CC1SCCCNc2ccc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.39
HTR2A P28223 6/20 0.39
HTR2B P41595 6/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 2/20 0.35
CYP1A2 P05177 2/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 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
Hydrochloric Acid SCHEMBL11269902 0.98 HTR2C (0.38) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL11274636 0.89 HTR2C (0.37) HTR2CHTR2AHTR2BADRB1HTR1A
Hydrochloric Acid SCHEMBL11275024 0.88 HTR2C (0.36) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL11275332 0.83 MAPT (0.36) HTR2CMAPTCYP1A2ALOX15CYP2C19
SCHEMBL11260229 0.81 HTR2A (0.39) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL11263563 0.81 HTR2C (0.39) HTR2CHTR2AHTR1ASLC6A2SLC6A4
SCHEMBL11276985 0.81 CA1 (0.34) CA1CA2
Hydrochloric Acid SCHEMBL11273176 0.81 MAPT (0.35) HTR2CMAPTCYP1A2TP53ALOX15
SCHEMBL11269627 0.81 HTR2C (0.36) HTR2CHTR2AHTR2BCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL11275784 0.80 CA1 (0.33) MAPTTP53ALOX15CASP1CA1

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