SCHEMBL11028996

SCHEMBL11028996

Nc1ccc2c(c1)CN[C@H](C(=O)OCc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
BACE1 P56817 1/20 0.43
HDAC8 Q9BY41 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
SCN3A Q9NY46 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL8235210 0.86 KMT2A (0.53) TSHRBACE1MEN1KMT2AFABP7
SCHEMBL7677497 0.86 KMT2A (0.53) TSHRBACE1MEN1KMT2AFABP7
SCHEMBL27627519 0.86 KMT2A (0.53) TSHRBACE1MEN1KMT2AFABP7
Hydrochloric Acid SCHEMBL10755389 0.85 MEN1 (0.55) TSHRBACE1HDAC8MEN1KMT2A
SCHEMBL20143631 0.85 LMNA (0.47) TSHRBACE1HDAC8MEN1KMT2A
SCHEMBL17486444 0.84 TSHR (0.45) TSHRBACE1HDAC8MEN1KMT2A
SCHEMBL7428360 0.83 TSHR (0.45) TSHRBACE1FABP7FABP5GLA
SCHEMBL11024331 0.83 KDM4E (0.46) HDAC8MEN1KMT2AOPRM1OPRD1
SCHEMBL7225043 0.81 ACE (0.47) TSHRBACE1MEN1KMT2A
SCHEMBL7225047 0.81 ACE (0.47) TSHRBACE1MEN1KMT2A

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-0088350-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1985-02-20 EP disclosed
EP-0088350-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-09-14 EP disclosed