SCHEMBL7791763

SCHEMBL7791763

CCCCOc1cccc2c1-c1c(OCCCC3CCNC3)cccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
KCNA3 P22001 1/20 0.41
NPY1R P25929 7/20 0.40
ACP1 P24666 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
IKBKB O14920 1/20 0.37
TLR7 Q9NYK1 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
SCHEMBL7792363 0.95 HTR2A (0.47) ELANEHTR2AHTR2CHTR2BKCNA3
SCHEMBL7794753 0.94 HTR2A (0.41) ELANEHTR2AHTR2CHTR2BKCNA3
SCHEMBL7796210 0.93 HTR2A (0.44) ELANEHTR2AHTR2CHTR2BKCNA3
SCHEMBL7792449 0.92 KCNA3 (0.41) ELANEHTR2AHTR2CHTR2BKCNA3
SCHEMBL7796400 0.91 MAPT (0.42) ELANEHTR2AHTR2CHTR2BKCNA3
SCHEMBL7786436 0.90 HTR2A (0.45) ELANEHTR2AHTR2CHTR2BKCNA3
SCHEMBL7792683 0.89 HTR2A (0.46) HTR2AHTR2CHTR2BKCNA3NPY1R
SCHEMBL7792560 0.88 NPY1R (0.43) ELANEHTR2AHTR2CHTR2BKCNA3
SCHEMBL7792686 0.88 IKBKB (0.38) ELANEHTR2AHTR2CHTR2BKCNA3
SCHEMBL7792411 0.88 HTR2A (0.41) HTR2AHTR2CHTR2BKCNA3NPY1R

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
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