SCHEMBL7276207

SCHEMBL7276207

Cc1c2n(c3ccccc13)C(=O)C(Cc1ncn(S(=O)(=O)N(C)C)c1C)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
HTR3B O95264 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
HTR2B P41595 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
SLC47A2 Q86VL8 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7267304 0.83 CYP3A4 (0.40) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL9597563 0.83 KCNH2 (0.52) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL7277715 0.79 CYP3A4 (0.35) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL7276297 0.78 HTR6 (0.33) CYP3A4CYP1A2CYP2D6SMN1; SMN2HTR6
Fabesetron SCHEMBL1021975 0.75 HTR3A (0.47) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Fabesetron SCHEMBL1350066 0.75 HTR3A (0.47) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Fabesetron SCHEMBL30949355 0.75 HTR3A (0.47) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Fabesetron SCHEMBL1026223 0.75 CASP6 (0.48) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
Fabesetron SCHEMBL2232218 0.75 CASP6 (0.48) CYP3A4KCNH2CYP1A2CYP2D6HTR3E
SCHEMBL7276214 0.75 TSHR (0.35) CYP3A4SMN1; SMN2TSHRKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451538-B1 Use of pyridoindole derivatives in the treatment of ischemic disorders FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-22 EP disclosed
EP-0361317-B1 Pyridoindole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1995-04-05 EP disclosed
US-5290785-A Therapeutic agent for ischemic diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-01 US disclosed
US-5173493-A For treatment or prevention of nausea or vomiting FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-12-22 US disclosed
US-5141945-A 5-Hydroxytryptamine antagonists, treatment or prevention of nausea and vomiting FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
EP-0451538-A2 Use of pyridoindole derivatives in the treatment of ischemic disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-10-16 EP disclosed
EP-0361317-A2 Pyridoindole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-04-04 EP disclosed