SCHEMBL2643248

SCHEMBL2643248

CC1=C(c2ccc(-n3cnc4ccccc43)cc2)CCC(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.61
▸ PDE3B Q13370 1/20 0.61
▸ PDE3A Q14432 1/20 0.61
▸ HTT P42858 4/20 0.49
▸ MGAM O43451 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SI P14410 1/20 0.49
▸ MGAM2 Q2M2H8 1/20 0.49
▸ FGFR1 P11362 2/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PTK2B Q14289 1/20 0.44

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
SCHEMBL7461486 0.76 PDE3B (0.61) PDE2APDE3BPDE3AKMT2A
SCHEMBL7280920 0.76 PDE3B (1.00) PDE2APDE3BPDE3AHTTMGAM
SCHEMBL10755622 0.75 PDE3B (0.62) PDE2APDE3BPDE3AMGAMGAA
Hydrochloric Acid SCHEMBL10759777 0.74 PDE3B (0.60) PDE2APDE3BPDE3AMGAMGAA
SCHEMBL2531256 0.74 HTT (0.78) PDE2APDE3BPDE3AHTTFGFR1
SCHEMBL6281045 0.73 HTT (0.66) HTTFGFR1KDM4EALDH1A1RAB9A
SCHEMBL31521527 0.73 CRBN (0.58) PDE2APDE3BPDE3AHTTMGAM
SCHEMBL11008299 0.73 SRD5A1 (0.42) PDE3BPDE3AALDH1A1SMN1; SMN2MAPT
SCHEMBL30402227 0.72 HTT (0.88) HTTFGFR1KDM4EALDH1A1RAB9A
SCHEMBL3419279 0.72 HTT (0.88) HTTFGFR1KDM4EALDH1A1RAB9A

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-0563001-B1 Imidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1996-02-28 — — EP disclosed
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