SCHEMBL7796437

SCHEMBL7796437

O=C1c2cccc(OCCCCC3CCNC3)c2-c2cccc(OCCCCC3CCNC3)c21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.48
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
NPY1R P25929 8/20 0.36
TERT O14746 1/20 0.36
HPGD P15428 1/20 0.35
TTR P02766 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL7786367 0.93 KCNA3 (0.50) KCNA3AVPR2AVPR1AITGB3ITGA2B
SCHEMBL7786542 0.89 KCNA3 (0.44) KCNA3NPY1R
SCHEMBL7794712 0.86 KCNA3 (0.47) KCNA3ITGB3ITGA2BNPY1RTERT
SCHEMBL7796210 0.85 HTR2A (0.44) KCNA3AVPR2AVPR1AHTR2AHTR2C
SCHEMBL7792363 0.85 HTR2A (0.47) KCNA3AVPR2AVPR1AHTR2AHTR2C
SCHEMBL7791763 0.85 ELANE (0.44) KCNA3AVPR2AVPR1AITGB3ITGA2B
SCHEMBL7786436 0.84 HTR2A (0.45) KCNA3AVPR2AVPR1AHTR2AHTR2C
SCHEMBL7792232 0.84 MEN1 (0.42) KCNA3AVPR2AVPR1AHTR2AHTR2C
SCHEMBL7792607 0.84 HTR2A (0.42) KCNA3AVPR2AVPR1AHTR2AHTR2C
SCHEMBL7794753 0.84 HTR2A (0.41) KCNA3AVPR2AVPR1AITGB3ITGA2B

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