SCHEMBL2072610

SCHEMBL2072610

CCC(C(=O)O)n1ccc2cc(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.58
▸ CCR3 P51677 7/20 0.50
▸ MCHR1 Q99705 5/20 0.49
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ PRKAB2 O43741 1/20 0.45
▸ PRKAG1 P54619 1/20 0.45
▸ PRKAA2 P54646 1/20 0.45
▸ PRKAA1 Q13131 1/20 0.45
▸ PRKAG3 Q9UGI9 1/20 0.45
▸ PRKAG2 Q9UGJ0 1/20 0.45
▸ PRKAB1 Q9Y478 1/20 0.45
▸ SSTR5 P35346 3/20 0.44
▸ HTR2C P28335 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
SCHEMBL5061536 0.85 HPGDS (0.61) HPGDSCCR3MCHR1DRD2DRD4
SCHEMBL2070963 0.83 HPGDS (0.62) HPGDSCCR3MCHR1DRD2DRD4
SCHEMBL13610005 0.81 HPGDS (0.75) HPGDSMCHR1DRD2DRD4PRKAB2
SCHEMBL2071856 0.81 HPGDS (0.69) HPGDSCCR3MCHR1DRD2DRD4
SCHEMBL2071799 0.81 HPGDS (0.71) HPGDSCCR3MCHR1DRD2DRD4
SCHEMBL2073286 0.80 HPGDS (0.68) HPGDSCCR3MCHR1DRD2DRD4
SCHEMBL2071454 0.80 HPGDS (0.70) HPGDSCCR3MCHR1DRD2DRD4
SCHEMBL2070489 0.80 HPGDS (0.73) HPGDSCCR3MCHR1DRD2DRD4
SCHEMBL2069994 0.80 HPGDS (0.65) HPGDSCCR3MCHR1DRD2DRD4
SCHEMBL2072461 0.80 HPGDS (0.65) HPGDSCCR3MCHR1DRD2DRD4

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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