SCHEMBL7278399

SCHEMBL7278399

O=C1CCCc2cc3ccccn3c21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
CYP2A6 P11509 1/20 0.42
CYP11B2 P19099 2/20 0.38
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PRKCI P41743 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
CREBBP Q92793 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL9387361 0.73 LMNA (0.47) MAOAMAOBCYP2A6GRM5ALDH1A1
SCHEMBL73966 0.72 TSHR (0.39) ALDH1A1MAPTL3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL10916201 0.70 TSHR (0.38) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL235218 0.67 CYP2A6 (0.44) CYP2A6CYP11B2ALDH1A1HTTMAPT
SCHEMBL7470493 0.66 HSP90AA1 (0.46) CYP11B2ALDH1A1HTTL3MBTL1NPC1
SCHEMBL6675291 0.66 MAPT (0.33) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL7267457 0.65 TP53 (0.47) ALDH1A1MAPTTP53CREBBPLMNA
SCHEMBL13169643 0.64 MAPT (0.33) ALDH1A1HTTMAPTL3MBTL1RAB9A
SCHEMBL6114715 0.64 CYP2A6 (0.43) MAOAMAOBCYP2A6CYP11B2GRM5
SCHEMBL7113456 0.63 HSP90AA1 (0.47) MAOAALDH1A1HTTMAPTL3MBTL1

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-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
EP-0384349-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1994-04-27 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