SCHEMBL2070963

SCHEMBL2070963

CCC(C(=O)O)n1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.62
▸ DRD2 P14416 1/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ PRKAA2 P54646 3/20 0.48
▸ PRKAB2 O43741 2/20 0.48
▸ PRKAG1 P54619 2/20 0.48
▸ PRKAA1 Q13131 2/20 0.48
▸ PRKAG3 Q9UGI9 2/20 0.48
▸ PRKAG2 Q9UGJ0 2/20 0.48
▸ PRKAB1 Q9Y478 2/20 0.48
▸ SSTR5 P35346 8/20 0.47
▸ MCHR1 Q99705 2/20 0.46
▸ SLC6A12 P48065 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CCR3 P51677 2/20 0.46

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
SCHEMBL2072614 0.87 HPGDS (0.69) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2071498 0.87 HPGDS (0.66) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2070755 0.85 HPGDS (0.64) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL13610005 0.84 HPGDS (0.75) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL5055540 0.84 HPGDS (0.65) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2072610 0.83 HPGDS (0.58) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2072938 0.83 HPGDS (0.65) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2073491 0.83 HPGDS (0.75) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2070944 0.82 HPGDS (0.69) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2073075 0.82 HPGDS (0.71) HPGDSDRD2DRD4PRKAA2PRKAB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 — — US disclosed
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