SCHEMBL9819835

SCHEMBL9819835

CCCCCC[N]CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
KCNH2 Q12809 1/20 0.51
CETP P11597 1/20 0.49
NAAA Q02083 3/20 0.46
DNM1 Q05193 2/20 0.46
MIF P14174 1/20 0.46
HTR2A P28223 1/20 0.45
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL9212818 1.00 SIGMAR1 (0.52) SIGMAR1KCNH2CETPNAAADNM1
SCHEMBL9819988 1.00 SIGMAR1 (0.52) SIGMAR1KCNH2CETPNAAADNM1
SCHEMBL9035864 0.94 KCNH2 (0.49) SIGMAR1KCNH2CETPNAAADNM1
SCHEMBL9034876 0.92 KCNH2 (0.61) SIGMAR1KCNH2NAAAMIFHTR2A
SCHEMBL10444157 0.92 KCNH2 (0.56) SIGMAR1KCNH2CETPNAAAMIF
SCHEMBL9819846 0.92 KCNH2 (0.61) SIGMAR1KCNH2NAAAMIFHTR2A
SCHEMBL9819966 0.92 KCNH2 (0.61) SIGMAR1KCNH2NAAAMIFHTR2A
SCHEMBL9213359 0.92 KCNH2 (0.61) SIGMAR1KCNH2NAAAMIFHTR2A
SCHEMBL9038087 0.92 KCNH2 (0.56) SIGMAR1KCNH2CETPNAAAMIF
SCHEMBL9819824 0.92 KCNH2 (0.56) SIGMAR1KCNH2CETPNAAAMIF

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
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed