SCHEMBL16410595

SCHEMBL16410595

N=CCN1CCC2(CC1)C(NNCc1cccc(Cl)c1)=Nc1ccccc1N2N

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ CARM1 Q86X55 2/20 0.31
▸ PRMT6 Q96LA8 2/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ HTR6 P50406 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ C5AR1 P21730 1/20 0.30

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
SCHEMBL16410611 0.80 — —
SCHEMBL16410774 0.78 MEN1 (0.36) P2RX7CHRM2MAPT
SCHEMBL16410776 0.75 NOS3 (0.35) P2RX7CHRM2MAPT
SCHEMBL16410780 0.75 MEN1 (0.35) P2RX7CHRM2MAPT
SCHEMBL16410701 0.74 PIK3CA (0.33) P2RX7
SCHEMBL16410731 0.74 KDM4E (0.30) —
SCHEMBL16410683 0.74 PIK3CA (0.32) P2RX7
SCHEMBL16410845 0.74 DHFR (0.31) MAPT
SCHEMBL16410718 0.73 PIK3CA (0.34) P2RX7CHRM2
SCHEMBL16410835 0.73 NOS1 (0.35) LMNA

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
WO-2015007730-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2015-01-22 — — WO disclosed
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