SCHEMBL10398781

SCHEMBL10398781

C[C@H](N)CCCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.56
CYP1A2 P05177 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2C19 P33261 2/20 0.50
HRH3 Q9Y5N1 2/20 0.49
LMNA P02545 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
NAAA Q02083 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HRH2 P25021 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
SCHEMBL11877576 1.00 HRH1 (0.56) HRH1CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL6938906 0.89 HRH1 (0.57) HRH1CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL10771160 0.89 HRH1 (0.57) HRH1CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL12604331 0.85 CYP1A2 (0.57) HRH1CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL7678007 0.83 HRH1 (0.57) HRH1CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL10399127 0.83 HRH1 (0.53) HRH1CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL22420959 0.82 HRH1 (0.51) HRH1CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL22420954 0.82 HRH1 (0.51) HRH1CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL14528092 0.81 HRH1 (0.51) HRH1CYP1A2ALDH1A1CYP2C19HRH3
SCHEMBL19861787 0.81 HRH1 (0.50) HRH1CYP1A2ALDH1A1CYP2C19HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4927826-A Cycloproylpropenamides useful as platelet activing factor (PAF) antagonists HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4916145-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1990-04-10 US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4786646-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1988-11-22 US disclosed