SCHEMBL7457705

SCHEMBL7457705

CCCC(=O)OC1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.45
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.36
CHRM1 P11229 1/20 0.35
SLC6A1 P30531 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC6A12 P48065 2/20 0.35
SLC6A11 P48066 2/20 0.35
SLC6A13 Q9NSD5 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRA4 P48169 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33

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
SCHEMBL7457710 1.00 NAAA (0.45) NAAAALDH1A1TSHRCHRM1SLC6A1
SCHEMBL7454131 1.00 NAAA (0.45) NAAAALDH1A1TSHRCHRM1SLC6A1
Hydrochloric Acid SCHEMBL7455934 0.98 NAAA (0.44) NAAAALDH1A1TSHRCHRM1SLC6A1
Hydrochloric Acid SCHEMBL7455941 0.98 NAAA (0.44) NAAAALDH1A1TSHRCHRM1SLC6A1
Hydrochloric Acid SCHEMBL6102499 0.98 NAAA (0.44) NAAAALDH1A1TSHRCHRM1SLC6A1
SCHEMBL14925177 0.90 NAAA (0.54) NAAACHRM1GNAI3GNAO1GNAI1
SCHEMBL3104069 0.90 NAAA (0.50) NAAAALDH1A1TSHRSLC6A1SLC6A11
SCHEMBL3111263 0.89 NAAA (0.51) NAAAALDH1A1GNAI3GNAO1GNAI1
SCHEMBL28256858 0.88 NAAA (0.61) NAAAGNAI3GNAO1GNAI1SMN1; SMN2
Hydrochloric Acid SCHEMBL27604463 0.87 NAAA (0.50) NAAAALDH1A1GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101001854-A Highly selective novel amidation method TAKEDA PHARMACEUTICAL (JP) 2007-07-18 CN disclosed
CN-1133637-C Immunosuppressive compounds and methods �꼪 2004-01-07 CN disclosed
EP-0900787-B1 PROCESS FOR PREPARING PYRROLIDINE DERIVATIVES KANEKA CORP (JP) 2002-09-11 EP disclosed
CN-1246121-A Immunosuppressive compounds and methods PHARMAGENESIS INC (US) 2000-03-01 CN disclosed
US-6005119-A Process for preparing pyrrolidine derivatives KANEKA CORPORATION (JP) 1999-12-21 US disclosed
EP-0900787-A1 PROCESS FOR PREPARING PYRROLIDINE DERIVATIVES KANEKA CORPORATION (JP) 1999-03-10 EP disclosed