SCHEMBL9386830

SCHEMBL9386830

CCCCOC(=O)C(O)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GNAI3 P08754 5/20 0.38
GNAO1 P09471 5/20 0.38
GNAI1 P63096 5/20 0.38
ATM Q13315 1/20 0.38
EPHX1 P07099 1/20 0.37
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL8122407 0.92 MMP1 (0.40) LMNASMN1; SMN2TSHRSLC6A2SLC6A4
SCHEMBL5724460 0.91 ALDH1A1 (0.38) ALDH1A1GNAI3GNAO1GNAI1ATM
SCHEMBL7401485 0.81 CPN1 (0.41) ALDH1A1GNAI3GNAO1GNAI1ATM
SCHEMBL25429500 0.78 ALDH1A1 (0.38) ALDH1A1GNAI3GNAO1GNAI1ATM
SCHEMBL1076478 0.76 CPN1 (0.36) ALDH1A1ATMCPN1CPB2TSHR
SCHEMBL18307376 0.75 SLC6A3 (0.46) ALDH1A1EPHX1CPN1CPB2POLB
SCHEMBL8569265 0.75 PRCP (0.41) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL6207732 0.75 PRCP (0.41) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL3982507 0.75 PRCP (0.41) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL4917731 0.75 GNAI3 (0.47) ALDH1A1GNAI3GNAO1GNAI1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604494-A1 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-06 EP disclosed