SCHEMBL7792367

SCHEMBL7792367

CCCOc1cc(OCCCC2CCNC2)c(N)c2c1-c1c(OCCCC3CCNC3)cccc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
IKBKB O14920 8/20 0.36
KCNA3 P22001 1/20 0.35
NPY1R P25929 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
ACP1 P24666 1/20 0.32

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
SCHEMBL7792686 0.96 IKBKB (0.38) HTR2AHTR2CHTR2BIKBKBKCNA3
SCHEMBL7792007 0.94 IKBKB (0.40) HTR2AHTR2CHTR2BIKBKBNPY1R
SCHEMBL7794789 0.94 HTR2A (0.38) HTR2AHTR2CHTR2BIKBKBKCNA3
SCHEMBL7792073 0.91 KCNA3 (0.35) HTR2AHTR2CHTR2BKCNA3NPY1R
SCHEMBL7794774 0.91 TLR7 (0.42) HTR2AHTR2CHTR2BIKBKBNPY1R
SCHEMBL7786436 0.89 HTR2A (0.45) HTR2AHTR2CHTR2BIKBKBKCNA3
SCHEMBL7792438 0.89 ACP1 (0.38) HTR2AHTR2CHTR2BIKBKBNPY1R
SCHEMBL7792363 0.88 HTR2A (0.47) HTR2AHTR2CHTR2BIKBKBKCNA3
SCHEMBL7795703 0.86 ACP1 (0.40) NPY1RTLR7ACP1
SCHEMBL7794753 0.85 HTR2A (0.41) HTR2AHTR2CHTR2BIKBKBKCNA3

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