SCHEMBL6640702

SCHEMBL6640702

CSc1ccc2c(c1)c(C=O)cn2CCCCl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 8/20 0.42
POLB P06746 2/20 0.40
ACHE P22303 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6643853 0.87 BCHE (0.42) NPC1ALDH1A1MAPTRAB9ALMNA
SCHEMBL6640766 0.84 POLB (0.49) NPC1ALDH1A1MAPTRAB9ALMNA
Formaldehyde SCHEMBL27548620 0.82 POLB (0.47) NPC1ALDH1A1MAPTRAB9ALMNA
SCHEMBL6638954 0.81 NPC1 (0.48) NPC1ALDH1A1MAPTRAB9ALMNA
SCHEMBL6648077 0.80 NPC1 (0.47) NPC1ALDH1A1MAPTRAB9ALMNA
SCHEMBL1429779 0.80 BCHE (0.63) BCHEPOLBACHEL3MBTL1
SCHEMBL9732204 0.80 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL6646033 0.76 ALDH1A1 (0.70) NPC1ALDH1A1MAPTRAB9ALMNA
SCHEMBL6643965 0.76 BCHE (0.65) BCHEACHE
SCHEMBL6643165 0.75 BCHE (0.67) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109813-B1 PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS VERNALIS RES LTD (GB) 2004-08-11 EP disclosed
US-6433175-B1 ANTISEROTONINE AGENTS VERNALIS RESEARCH LIMITED (GB) 2002-08-13 US disclosed
EP-1109813-A1 PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP disclosed
WO-2000012510-A1 PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 WO disclosed