SCHEMBL9463514

SCHEMBL9463514

CC1c2cc(Cl)ccc2CN1CC#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.37
HTR2C P28335 6/20 0.37
HTR2B P41595 6/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CNR1 P21554 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HCRTR2 O43614 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL9463451 0.88 HTR2C (0.36) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL9851315 0.78 MAPT (0.49) HTR1ASLC6A2SLC6A4KDM4EMAPT
SCHEMBL9462982 0.73 SLC6A2 (0.39) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL9463711 0.69 HTR2A (0.38) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL9463228 0.69 SLC6A2 (0.45) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL9678309 0.68 KCNH2 (0.36) HTR2AHTR2CHTR2BKCNH2NOS3
SCHEMBL8028684 0.64 MAOA (0.56) HTR2AHTR2CHTR2BADRB1HTR1A
SCHEMBL9464110 0.63 PRCP (0.37) HTR2ASLC6A2SLC6A4KDM4EMAPT
Hydrochloric Acid SCHEMBL9463892 0.62 PRCP (0.36) HTR2ASLC6A2SLC6A4KDM4EMAPT
SCHEMBL16385860 0.61 HTR2C (0.58) HTR2AHTR2CHTR2BADRB1HTR1A

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
US-5264436-A Alpha-adrenoceptors antagonist, hypotensive agents or antidiabetic agents BEECHAM GROUP P.L.C. (GB) 1993-11-23 US disclosed
EP-0275639-B1 N-SUBSTITUTED CYCLIC AMIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1992-07-15 EP disclosed
US-5077299-A Glaucoma, antidepressants, anticoagulants, hypotensive agents BEECHAM GROUP P.L.C. (GB) 1991-12-31 US disclosed
US-4918083-A 4,5 Dihydroimidazole compounds which have useful pharmaceutical utility BEECHAM GROUP P.L.C. (GB) 1990-04-17 US disclosed
EP-0275639-A1 N-substituted cyclic amides, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-07-27 EP disclosed