SCHEMBL7342091

SCHEMBL7342091

O=C(O)[C@@H]1CC(Oc2ccc3ccccc3c2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.45
POLB P06746 1/20 0.43
ALOX5 P09917 1/20 0.43
AGTR2 P50052 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL7342093 1.00 BDKRB2 (0.45) BDKRB2POLBALOX5AGTR2NPC1
SCHEMBL7387119 0.90 POLB (0.45) BDKRB2POLBALOX5ALDH1A1NPSR1
SCHEMBL2299502 0.89 NPC1 (0.46) POLBAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL7338874 0.87 MCL1 (0.47) POLBAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL7338869 0.87 MCL1 (0.47) POLBAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL7346785 0.86 AGTR2 (0.46) POLBAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL2437881 0.81 MCL1 (0.47)
SCHEMBL6208008 0.81 MCL1 (0.47)
SCHEMBL29921 0.81 AGTR2 (0.56) BDKRB2POLBAGTR2NPC1RAB9A
SCHEMBL6515997 0.81 AGTR2 (0.56) BDKRB2POLBAGTR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4462943-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-07-31 US disclosed
EP-0052991-A1 Carboxyalkyl amino acid derivatives of various substituted prolines E.R. Squibb & Sons, Inc. (US) 1982-06-02 EP disclosed
US-4316906-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed