SCHEMBL5506141

SCHEMBL5506141

O=C1CCCN1C1CCCC(Cc2ccc(-c3cncnc3)cc2Cl)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.35
NPY5R Q15761 4/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CCR5 P51681 1/20 0.33
CTSS P25774 2/20 0.32
P2RX7 Q99572 4/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL5499996 0.90 CNR1 (0.38) CCR5JAK2
SCHEMBL5506180 0.89 AAK1 (0.34) CD38NPY5RHRH3CCR5CTSS
Hydrochloric Acid SCHEMBL5504549 0.89 CNR1 (0.38) CCR5JAK2
SCHEMBL5506470 0.88 NPY5R (0.40) CD38NPY5RP2RX7PDCD1LG2CD274
Hydrochloric Acid SCHEMBL5499646 0.88 AAK1 (0.33) CD38NPY5RHRH3CCR5CTSS
SCHEMBL5504232 0.87 CTSS (0.36) NPY5RCTSSP2RX7PDCD1LG2CD274
SCHEMBL5500821 0.87 CNR1 (0.38) NPY5RCCR5DPP4DPP8DPP9
SCHEMBL5503995 0.86 CYP11B2 (0.40) PDCD1LG2CD274
SCHEMBL5499827 0.86 P2RX7 (0.34) NPY5RCTSSP2RX7DPP4DPP8
SCHEMBL5509832 0.86 NPY5R (0.41) CD38NPY5RP2RX7PDCD1LG2CD274

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