SCHEMBL8556686

SCHEMBL8556686

CCOC(=O)c1cc2c3c(ccc2[nH]1)CC(CN)O3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ RAB9A P51151 5/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MMP13 P45452 7/20 0.44
▸ MMP2 P08253 5/20 0.44
▸ NPC1 O15118 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ MMP14 P50281 3/20 0.42
▸ GAA P10253 3/20 0.41

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
Hydrochloric Acid SCHEMBL8556291 0.99 HTR1A (0.45) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL8558528 0.82 HTR1A (0.42) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL11747833 0.73 RAB9A (0.56) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL11745635 0.73 RAB9A (0.59) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL9095615 0.73 KDM4E (0.38) RAB9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13395659 0.72 KDM4E (0.47) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6739125 0.72 KDM4E (0.58) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9096581 0.71 CYP1A2 (0.36) DRD2SMN1; SMN2
Hydrochloric Acid SCHEMBL8557929 0.71 HTR1A (0.37) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL17429439 0.70 KDM4E (0.56) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653426-B1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA CO (JP) 1998-07-22 — — EP disclosed
US-5510366-A INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS KOWA CO., LTD. (JP) 1996-04-23 — — US disclosed
EP-0653426-A1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA COMPANY, LTD. (JP) 1995-05-17 — — EP disclosed
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