SCHEMBL7310997

SCHEMBL7310997

O=C1CCc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ HTT P42858 2/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ CRBN Q96SW2 2/20 0.53
▸ LMNA P02545 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ USP2 O75604 2/20 0.49
▸ NR3C1 P04150 1/20 0.48
▸ PGR P06401 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL7311000 1.00 ALDH1A1 (0.56) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL7315609 0.91 CRBN (0.52) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL7315603 0.91 CRBN (0.52) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL11040553 0.82 MEN1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ACRBN
Hydrochloric Acid SCHEMBL11042578 0.82 NR3C1 (0.53) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL7288177 0.81 GRIN2B (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ACRBN
SCHEMBL11067471 0.80 MEN1 (0.60) ALDH1A1MEN1KMT2ACRBNNR3C1
SCHEMBL7319943 0.79 NR3C1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2ACRBN
SCHEMBL7294275 0.79 KMT2A (0.58) ALDH1A1MEN1KMT2ACRBNMAPT
SCHEMBL11043935 0.79 CRBN (0.59) ALDH1A1CRBNNR3C1PGRSLC6A4

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
US-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 — — US disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 — — EP disclosed
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