SCHEMBL7333320

SCHEMBL7333320

CCCCC(c1cc2cccc(C(=O)O)c2s1)C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.34
SLC6A2 P23975 9/20 0.34
SLC6A3 Q01959 8/20 0.34
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 3/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
ALDH1A1 P00352 1/20 0.31
SMYD3 Q9H7B4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
GLS O94925 1/20 0.30

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
Hydrochloric Acid SCHEMBL9198794 0.76 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3OPRD1KCNH2
SCHEMBL9196790 0.74 CNR2 (0.42) SLC6A4SLC6A2SLC6A3OPRD1CNR1
SCHEMBL7346880 0.68 OXER1 (0.36) SLC6A4SLC6A2SLC6A3OPRD1KCNH2
SCHEMBL7328048 0.67 PTGER1 (0.39) SLC6A4SLC6A2SLC6A3
SCHEMBL7325733 0.66 OPRD1 (0.32) OPRD1ALDH1A1KDM4EMEN1RECQL
SCHEMBL7336032 0.65 OPRD1 (0.31) SLC6A4SLC6A2SLC6A3OPRD1
SCHEMBL25119667 0.64 CA2 (0.37) CNR1CNR2KDM4EMEN1RECQL
SCHEMBL7326487 0.64 HTR1A (0.36) ALDH1A1SMYD3
SCHEMBL7348377 0.64 GAA (0.37) SLC6A4SLC6A2SLC6A3OPRD1SMYD3
SCHEMBL7333317 0.64 HTR4 (0.45) SLC6A4SLC6A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664806-A1 HETEROCYCLIC CONDENSED BENZOIC ACID DERIVATIVES AS 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-02 EP claimed
WO-1994008995-A1 HETEROCYCLIC CONDENSED BENZOIC ACID DERIVATIVES AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-28 WO claimed