SCHEMBL9519950

SCHEMBL9519950

C[C@H](N)CCCc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.52
LOXL2 Q9Y4K0 2/20 0.48
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
NAAA Q02083 1/20 0.40
OPRM1 P35372 1/20 0.37
CYP19A1 P11511 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL10397794 1.00 HRH1 (0.52) HRH1LOXL2NPC1KMT2AHRH3
SCHEMBL1677867 0.88 LOXL2 (0.52) HRH1LOXL2HRH3CYP19A1LMNA
SCHEMBL31223729 0.88 LOXL2 (0.52) HRH1LOXL2HRH3CYP19A1LMNA
SCHEMBL22229846 0.88 LOXL2 (0.52) HRH1LOXL2HRH3CYP19A1LMNA
Bromide SCHEMBL18191799 0.86 LOXL2 (0.50) HRH1LOXL2HRH3CYP19A1LMNA
SCHEMBL3169642 0.83 HRH1 (0.50) HRH1LOXL2NPC1KMT2AHRH3
SCHEMBL10399075 0.80 HRH1 (0.47) HRH1LOXL2NPC1KMT2AHRH3
SCHEMBL10399076 0.80 HRH1 (0.47) HRH1LOXL2NPC1KMT2AHRH3
SCHEMBL3712834 0.79 SLC6A2 (0.56)
SCHEMBL8975209 0.78 CYP2A6 (0.61) HRH1HRH3HRH4TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
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
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP 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