SCHEMBL8806549

SCHEMBL8806549

O=C1CCc2cc(N3CCC(O)CC3)c([N+](=O)[O-])cc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CTPS1 P17812 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GPR174 Q9BXC1 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9392562 0.83 AKR1B1 (0.49) MAPTALDH1A1TDP1CYP3A4LMNA
SCHEMBL8810785 0.81 GPR174 (0.40) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL8805728 0.80 LMNA (0.44) MAPTALDH1A1LMNAGAAHTT
SCHEMBL8805822 0.80 LMNA (0.42) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8808373 0.80 DRD2 (0.39) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL8805609 0.80 HSP90AA1 (0.37) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8806081 0.80 DRD2 (0.42) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9408149 0.78 MAPT (0.47) MAPTALDH1A1TDP1LMNAGPR174
SCHEMBL20594914 0.78 AKR1B1 (0.52) MAPTALDH1A1TDP1CYP3A4LMNA
SCHEMBL8805973 0.77 PDE3B (0.43) MAPTMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6065232-A — — None — — JP disclosed
EP-0583136-B1 Piperidino-3,4-dihydrocarbostyryl compounds for the treatment of ischemic disorders KISSEI PHARMACEUTICAL (JP) 1997-10-08 — — EP disclosed
US-5294718-A Platelet aggregation inhibitors; antiischemic agents; side effect reduction KISSEI PHARMACEUTICAL CO., LTD. (JP) 1994-03-15 — — US disclosed
JP-H0665232-A PIPERIDINO-3,4-DIHYDROCARBOSTYRYL DERIVATIVE KISSEI PHARMACEUT CO LTD 1994-03-08 — — JP disclosed
EP-0583136-A2 Piperidino-3,4-dihydrocarbostyryl compounds for the treatment of ischemic disorders Kissei Pharmaceutical Co., Ltd. (JP) 1994-02-16 — — EP disclosed
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