SCHEMBL7795771

SCHEMBL7795771

COc1cc(OCCN2CCCC2)c(N)c2c1-c1c(OCCN3CCCC3)cccc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
HTR2C P28335 12/20 0.49
HTR2B P41595 4/20 0.46
HTR2A P28223 3/20 0.46
MCHR1 Q99705 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7796350 0.99 HTR2C (0.51) POLBHTR2CHTR2BHTR2AMEN1
SCHEMBL7792689 0.98 POLB (0.51) POLBHTR2CHTR2BHTR2AMCHR1
SCHEMBL7795926 0.96 POLB (0.47) POLBHTR2CHTR2BHTR2AMCHR1
SCHEMBL7795913 0.96 POLB (0.47) POLBHTR2CHTR2BHTR2AMCHR1
Hydrochloric Acid SCHEMBL7792164 0.95 POLB (0.46) POLBHTR2CHTR2BHTR2AMCHR1
SCHEMBL7792069 0.95 ALDH1A1 (0.48) POLBHTR2CMEN1ALDH1A1CYP1A2
SCHEMBL7795701 0.94 HRH3 (0.49) HTR2CMEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL7796495 0.93 POLB (0.48) POLBHTR2CHTR2BHTR2AMCHR1
SCHEMBL7796231 0.92 TDP1 (0.43) POLBHTR2CMEN1ALDH1A1CYP1A2
SCHEMBL7795879 0.92 ALDH1A1 (0.47) POLBHTR2CALDH1A1CYP1A2CYP2D6

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