SCHEMBL8558528

SCHEMBL8558528

CCOC(=O)c1cc2c3c(ccc2[nH]1)CC(CNC(=O)C(F)(F)F)O3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.42
▸ DRD2 P14416 3/20 0.42
▸ HTR2A P28223 3/20 0.42
▸ HTR2C P28335 3/20 0.42
▸ HTR2B P41595 3/20 0.42
▸ KDM4E B2RXH2 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MMP13 P45452 7/20 0.38
▸ MMP2 P08253 5/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GLA P06280 1/20 0.38

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
SCHEMBL8557646 0.83 NPC1 (0.33) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL8556686 0.82 HTR1A (0.45) HTR1ADRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL8556291 0.81 HTR1A (0.45) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL11747833 0.68 RAB9A (0.56) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL11745635 0.68 RAB9A (0.59) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL9093938 0.67 EPHX2 (0.37) DRD2KDM4ERAB9AALDH1A1HPGD
SCHEMBL13395659 0.66 KDM4E (0.47) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6739125 0.66 KDM4E (0.58) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL8959852 0.65 KDM4E (0.51) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL13395586 0.65 ALDH1A1 (0.48) HTR1ADRD2HTR2AHTR2CHTR2B

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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