SCHEMBL5506180

SCHEMBL5506180

O=C1CCCN1C1CCCC(Cc2ccc(-c3ccncc3)cc2Cl)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.34
HSD11B1 P28845 1/20 0.34
NPY5R Q15761 1/20 0.33
CD38 P28907 1/20 0.33
CCR5 P51681 1/20 0.33
CTSS P25774 2/20 0.32
MCHR1 Q99705 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
P2RX7 Q99572 2/20 0.32
GPR142 Q7Z601 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
METAP2 P50579 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
Hydrochloric Acid SCHEMBL5499646 0.99 AAK1 (0.33) AAK1HSD11B1NPY5RCD38CCR5
SCHEMBL5504552 0.90 NPY5R (0.34) NPY5RCD38CTSSPDCD1LG2CD274
SCHEMBL5504232 0.90 CTSS (0.36) NPY5RCTSSPDCD1LG2CD274P2RX7
SCHEMBL5506141 0.89 CD38 (0.35) NPY5RCD38CCR5CTSSPDCD1LG2
SCHEMBL5499827 0.89 P2RX7 (0.34) NPY5RCTSSP2RX7DPP4DPP8
SCHEMBL5499996 0.89 CNR1 (0.38) CCR5HCRTR1HCRTR2
SCHEMBL5501423 0.88 HTR6 (0.34) AAK1HSD11B1NPY5RCCR5DPP4
Hydrochloric Acid SCHEMBL5504549 0.88 CNR1 (0.38) CCR5HCRTR1HCRTR2
SCHEMBL5503778 0.87 CTSS (0.35) NPY5RCCR5CTSSPDCD1LG2CD274
SCHEMBL5506470 0.87 NPY5R (0.40) NPY5RCD38PDCD1LG2CD274P2RX7

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-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed