SCHEMBL4465297

SCHEMBL4465297

COc1ccc(C(=O)N2CCc3cnccc32)c2c3cc([N+](=O)[O-])ccc3n(C)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HTR1A P08908 3/20 0.36
▸ HTR1D P28221 2/20 0.36
▸ HTR1B P28222 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL4335222 0.83 SMN1; SMN2 (0.39) HTR2CALDH1A1SMN1; SMN2
SCHEMBL4326731 0.82 HTR2C (0.40) HTR2CLMNAMAPTHTTNPC1
SCHEMBL4030576 0.77 ALDH1A1 (0.47) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL4026837 0.76 MAPT (0.45) LMNAMAPTHTTALDH1A1KMT2A
SCHEMBL4326737 0.74 PDE4B (0.44) HTR2CLMNAMAPTHTTNPC1
SCHEMBL4028106 0.72 PDE4D (0.52) —
SCHEMBL4055213 0.69 MAPT (0.48) LMNAMAPTHTTALDH1A1KMT2A
SCHEMBL4050626 0.67 PDE4A (0.39) LMNAMAPTHTTSIGMAR1ALDH1A1
SCHEMBL4050217 0.67 BACE1 (0.32) LMNAMAPTSIGMAR1ALDH1A1HTR1A
SCHEMBL5016430 0.66 GAA (0.43) MAPTHTTNPC1ALDH1A1KMT2A

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
WO-2009147476-A1 NOVEL PDE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-12-10 — — WO disclosed
WO-2009147476-A1 NOVEL PDE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-12-10 — — WO disclosed
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