SCHEMBL7403118

SCHEMBL7403118

[CH2]COc1ccc2[nH]c(C)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 4/20 0.37
MAPT P10636 5/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ESR2 Q92731 2/20 0.36
HSP90AA1 P07900 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
CHRNB2 P17787 1/20 0.35

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
SCHEMBL10146397 0.85 HSD17B10 (0.50) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL17702656 0.83 FGFR1 (0.45) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL1286065 0.80 KDM4E (0.57) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL9529962 0.79 CYP3A4 (0.54) ALDH1A1HSD17B10KDM4EHPGDNPC1
Hydrochloric Acid SCHEMBL31587365 0.78 KDM4E (0.55) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL2735411 0.78 MAOA (0.52) ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5901794 0.77 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL12930776 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4ELMNAHPGD
SCHEMBL8265310 0.75 LTA4H (0.57) KDM4ENPC1RAB9ATSHR
SCHEMBL12957900 0.74 PDE2A (0.43) ALDH1A1HSD17B10KDM4ELMNAHPGD

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-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed