SCHEMBL7786367

SCHEMBL7786367

O=C1c2cccc(OCCCCC3CCNCC3)c2-c2cccc(OCCCCC3CCNCC3)c21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
ITGB3 P05106 12/20 0.43
ITGA2B P08514 12/20 0.43
AVPR2 P30518 2/20 0.43
AVPR1A P37288 2/20 0.43
TERT O14746 1/20 0.41
HPGD P15428 1/20 0.39
IDO1 P14902 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
SCHEMBL7796437 0.93 KCNA3 (0.48) KCNA3ITGB3ITGA2BAVPR2AVPR1A
SCHEMBL7786473 0.85 ITGB3 (0.50) KCNA3ITGB3ITGA2BTERT
SCHEMBL7786542 0.82 KCNA3 (0.44) KCNA3
SCHEMBL7794712 0.79 KCNA3 (0.47) KCNA3ITGB3ITGA2BTERT
SCHEMBL7791763 0.77 ELANE (0.44) KCNA3ITGB3ITGA2BAVPR2AVPR1A
SCHEMBL7792363 0.77 HTR2A (0.47) KCNA3AVPR2AVPR1ATERT
SCHEMBL7796210 0.77 HTR2A (0.44) KCNA3AVPR2AVPR1A
SCHEMBL28726010 0.77 PARP1 (0.59) ITGB3ITGA2BAVPR2AVPR1AHPGD
SCHEMBL7794753 0.77 HTR2A (0.41) KCNA3ITGB3ITGA2BAVPR2AVPR1A
SCHEMBL7786436 0.77 HTR2A (0.45) KCNA3AVPR2AVPR1ATERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed