SCHEMBL7795723

SCHEMBL7795723

CCCCOc1cccc2c1-c1c(OCCC3CCCN3)cccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.44
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
KCNA3 P22001 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
NPY1R P25929 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL7791873 0.97 ELANE (0.43) ELANECHRNB4CHRNA3KCNA3HTR2A
SCHEMBL7792203 0.95 CHRNB4 (0.43) ELANECHRNB4CHRNA3KCNA3CHRNB2
SCHEMBL7796092 0.94 CHRNB4 (0.39) ELANECHRNB4CHRNA3KCNA3CHRNB2
SCHEMBL8382782 0.92 ELANE (0.43) ELANECHRNB4CHRNA3KCNA3CHRNB2
SCHEMBL7792043 0.92 KCNA3 (0.41) ELANECHRNB4CHRNA3KCNA3CHRNB2
SCHEMBL7795907 0.92 CHRNB4 (0.42) CHRNB4CHRNA3KCNA3CHRNB2CHRNA4
SCHEMBL7792650 0.92 PIM1 (0.42) CHRNB4CHRNA3KCNA3CHRNB2CHRNA4
SCHEMBL7786279 0.91 PIM1 (0.39) ELANECHRNB4CHRNA3KCNA3HTR2A
SCHEMBL7786141 0.91 MAPT (0.42) ELANECHRNB4CHRNA3KCNA3
SCHEMBL7792624 0.90 CHRNB4 (0.41) CHRNB4CHRNA3KCNA3CHRNB2CHRNA4

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