SCHEMBL8911446

SCHEMBL8911446

COc1ccccc1C1CNCCN1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.53
HTR2A P28223 6/20 0.53
HTR2B P41595 6/20 0.53
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
DRD2 P14416 1/20 0.45
CYP2C19 P33261 1/20 0.45
DRD3 P35462 1/20 0.45
HTR3A P46098 1/20 0.45
HTR6 P50406 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR7 P34969 1/20 0.41

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
SCHEMBL30593287 0.80 HTR2C (0.54) HTR2CHTR2AHTR2BHTR3EHTR3B
SCHEMBL6450346 0.80 HTR2C (0.51) HTR2CHTR2AHTR2BHTR3EHTR3B
SCHEMBL14698726 0.80 HTR2C (0.54) HTR2CHTR2AHTR2BHTR3EHTR3B
SCHEMBL1074633 0.79 HTR2C (0.47) HTR2CHTR2AHTR2BDRD2
SCHEMBL5915126 0.78 DRD2 (0.51) HTR2CHTR2AHTR2BHTR3EHTR3B
SCHEMBL1944636 0.75 HTR2C (0.52) HTR2CHTR2AHTR2BMAPTMEN1
Hydrochloric Acid SCHEMBL10632250 0.74 HTR2C (0.48) HTR2CHTR2AHTR2BTAAR1
Hydrochloric Acid SCHEMBL10632262 0.74 HTR2C (0.48) HTR2CHTR2AHTR2BTAAR1
Hydrochloric Acid SCHEMBL10632245 0.74 HTR2C (0.48) HTR2CHTR2AHTR2BTAAR1
Hydrochloric Acid SCHEMBL10632254 0.74 HTR2C (0.48) HTR2CHTR2AHTR2BTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997014419-A1 TRANSDERMAL DELIVERY OF ALPHA ADRENOCEPTOR BLOCKING AGENTS FLORA INC. (US) 1997-04-24 WO disclosed