SCHEMBL7461980

SCHEMBL7461980

O=C(OCc1ccccc1)[N+]1(Cc2c[nH]c3ccccc23)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
NMBR P28336 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
PKM P14618 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
GAA P10253 1/20 0.43
TACR1 P25103 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6100777 0.75 MEN1 (0.74) SLC6A2FNTAFNTBSMN1; SMN2MEN1
SCHEMBL5849243 0.74 ALDH1A1 (0.47) SLC6A2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4071928 0.73 LMNA (0.70) SLC6A2FNTAFNTBNMBRSMN1; SMN2
SCHEMBL7445365 0.73 SLC6A2 (0.70) SLC6A2FNTAFNTBNMBRSMN1; SMN2
SCHEMBL4071924 0.72 SLC6A2 (0.53) SLC6A2FNTAFNTBNMBRSMN1; SMN2
SCHEMBL7416001 0.72 ALDH1A1 (0.45) SLC6A2MEN1KMT2AMAPTALDH1A1
SCHEMBL9149723 0.71 SMN1; SMN2 (0.73) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL1167913 0.71 TACR1 (0.77) NMBRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1167914 0.71 TACR1 (0.77) NMBRSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8025702 0.71 TACR1 (0.77) NMBRSMN1; SMN2MEN1KMT2AMAPT

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-0629199-B1 INDOLE DERIVATIVES AS 5-HT1 AGONISTS PFIZER (US) 2002-06-05 EP disclosed
US-5717102-A Indole derivatives as 5-HT1 agonists PFIZER INC. (US) 1998-02-10 US disclosed
US-5594014-A Indole derivatives as 5-HT1 agonists PFIZER INC (US) 1997-01-14 US disclosed
WO-1993018032-A1 INDOLE DERIVATIVES AS 5-HT1 AGONISTS PFIZER INC. (US) 1993-09-16 WO disclosed