SCHEMBL8937583

SCHEMBL8937583

O=C(C=C(c1cccc(Cl)c1)c1cccc(Cl)c1)N1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
SLC6A4 P31645 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
ADRB1 P08588 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR7 P34969 1/20 0.49
HTR2B P41595 1/20 0.49
HTT P42858 1/20 0.49
HTR3A P46098 1/20 0.49
HTR6 P50406 1/20 0.49

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
SCHEMBL2733887 0.82 SIGMAR1 (0.65) SIGMAR1HTTMGLLPKMALDH1A1
Hydrochloric Acid SCHEMBL31322393 0.81 SIGMAR1 (0.63) SIGMAR1HTTMGLLPKMALDH1A1
Hydrochloric Acid SCHEMBL27699714 0.78 SIGMAR1 (0.42) SIGMAR1SLC6A4HTR3EHTR3BTP53
SCHEMBL11484136 0.77 CYP1A2 (0.62) SIGMAR1SLC6A4HTR3EHTR3BTP53
SCHEMBL11484142 0.77 CYP1A2 (0.62) SIGMAR1SLC6A4HTR3EHTR3BTP53
SCHEMBL30250424 0.76 SMN1; SMN2 (0.61) SIGMAR1SLC6A4HTR3EHTR3BTP53
SCHEMBL8937307 0.76 GPR183 (0.44) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL8937312 0.76 GPR183 (0.44) SIGMAR1HTR3EHTR3BADRB1HTR3A
SCHEMBL8937304 0.76 GPR183 (0.44) SIGMAR1HTR3EHTR3BADRB1HTR3A
Hydrochloric Acid SCHEMBL30978757 0.75 SMN1; SMN2 (0.60) SIGMAR1SLC6A4HTR3EHTR3BTP53

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-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0395446-B1 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists SANKYO CO (JP) 1995-03-01 EP disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 EP disclosed