SCHEMBL26647667

SCHEMBL26647667

Cc1nc(Nc2nc(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)cc(N3CCC(O)CC3)n2)sc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.52
▸ PDE5A O76074 1/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ TP53 P04637 1/20 0.38

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
SCHEMBL29831861 0.91 PDE5A (0.67) XDHPDE5ANPSR1NPC1RAB9A
SCHEMBL290337 0.91 PDE5A (0.67) XDHPDE5ANPSR1NPC1RAB9A
SCHEMBL26647596 0.86 PDE5A (0.58) PDE5ANPSR1RAB9ALMNAMAPT
SCHEMBL27950934 0.85 PDE5A (0.53) PDE5ANPC1RAB9ANR1H4MAPT
SCHEMBL27950930 0.85 PDE5A (0.61) PDE5ANPSR1NPC1RAB9ALMNA
SCHEMBL27937575 0.85 PDE5A (0.60) PDE5ANPSR1LMNAMAPTKDM4E
SCHEMBL27950940 0.84 PDE5A (0.54) PDE5ACCNT1CDK4CCND1CDK9
SCHEMBL27950936 0.84 PDE5A (0.59) PDE5AALDH1A1CCNT1CDK4CCND1
SCHEMBL27937611 0.83 PDE5A (0.71) PDE5ANPSR1NPC1RAB9ALMNA
SCHEMBL27950964 0.82 PDE5A (0.62) PDE5ANPC1MAPTKDM4EALDH1A1

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
EP-4275752-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS Omeros Corporation (US) 2023-11-15 — — EP disclosed
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