SCHEMBL6581620

SCHEMBL6581620

Cc1nc2ccccc2n1CC1CO1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.56
NR2F2 P24468 3/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
TNF P01375 1/20 0.55
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
PKM P14618 1/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
AGER Q15109 1/20 0.48
APAF1 O14727 1/20 0.48
DHFR P00374 1/20 0.47

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
SCHEMBL29770318 0.88 KCNH2 (0.56) GALR3NR2F2RAB9ANPC1TNF
SCHEMBL13035832 0.82 TNF (0.57) GALR3NR2F2RAB9ANPC1TNF
SCHEMBL16116733 0.79 PRKACA (0.57) GALR3NR2F2RAB9ANPC1TNF
SCHEMBL6446137 0.77 LMNA (0.69) GALR3NR2F2RAB9ANPC1TNF
SCHEMBL1104819 0.75 TNF (0.66) GALR3NR2F2RAB9ANPC1TNF
SCHEMBL31498004 0.74 TNF (0.64) GALR3NR2F2RAB9ANPC1TNF
Hydrochloric Acid SCHEMBL8009001 0.74 PKM (0.64) GALR3NR2F2RAB9ANPC1TNF
SCHEMBL4728183 0.74 TNF (0.64) GALR3NR2F2RAB9ANPC1TNF
SCHEMBL4191641 0.74 TNF (0.64) GALR3NR2F2RAB9ANPC1TNF
SCHEMBL11130492 0.74 TNF (0.64) GALR3NR2F2RAB9ANPC1TNF

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-1075471-B1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS WYETH CORP (US) 2004-11-17 EP disclosed
US-6204274-B1 TREAT CENTRAL NERVOUS SYSTEM DISORDERS, SUCH AS DEPRESSION AND ANXIETY AND OTHER CONDITIONS FOR WHICH SEROTONIN REUPTAKE INHIBITORS ARE USED. AMERICAN HOME PRODUCTS CORPORATION 2001-03-20 US disclosed
EP-1075471-A1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-14 EP disclosed
WO-1999055694-A1 INDOLYL DERIVATIVES AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-04 WO disclosed