SCHEMBL7835227

SCHEMBL7835227

Nc1nccn1CC(CO)(C(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TLR8 Q9NR97 2/20 0.37
ESR1 P03372 1/20 0.36
TYMP P19971 1/20 0.36
KCNH2 Q12809 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32

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
SCHEMBL7835223 1.00 ARG1 (0.40) ARG1ALDH1A1TSHRTLR8ESR1
SCHEMBL7838436 0.73 TSHR (0.41) ALDH1A1TSHRKMT2AMEN1HTT
SCHEMBL7838433 0.73 TSHR (0.41) ALDH1A1TSHRKMT2AMEN1HTT
SCHEMBL7837929 0.72 CYP11B1 (0.59) ALDH1A1
SCHEMBL7837924 0.72 CYP11B1 (0.59) ALDH1A1
SCHEMBL10762081 0.72 ALDH1A1 (0.59) ALDH1A1TSHRKMT2AHTT
Ethylenediamine SCHEMBL1472377 0.69 ALDH1A1 (0.52) ALDH1A1TSHRKMT2AHTT
SCHEMBL27473190 0.69 ALDH1A1 (0.52) ALDH1A1TSHRKMT2AHTT
SCHEMBL7834284 0.68 KMT2A (0.52) ALDH1A1TSHRKMT2AMEN1AGTR1
SCHEMBL7834292 0.68 KMT2A (0.52) ALDH1A1TSHRKMT2AMEN1AGTR1

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-0500864-B1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LTD (GB) 2001-09-19 EP disclosed
US-5292749-A Quinuclidine derivatives; bronchodilator agents, treatment of respiratory system disorders PFIZER INC. (US) 1994-03-08 US disclosed
EP-0500864-A1 ANTIMUSCARINIC BRONCHODILATORS Pfizer Limited (GB) 1992-09-02 EP disclosed
WO-1992004346-A1 ANTIMUSCARINIC BRONCHODILATORS PFIZER LIMITED (GB) 1992-03-19 WO disclosed