SCHEMBL10840099

SCHEMBL10840099

COc1ccc2c(c1)CC1CCCCC1N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ ACHE P22303 1/20 0.37

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
SCHEMBL10840693 0.80 LMNA (0.34) PDE3BPDE3ACYP3A4TSHRMEN1
SCHEMBL10840013 0.77 HTR2C (0.40) TSHRMEN1LMNAKMT2AGABRP
SCHEMBL11087883 0.74 PDE3B (0.45) DRD2DRD3PDE3BPDE3ALMNA
SCHEMBL24347621 0.73 DRD2 (0.40) DRD2DRD3PDE3BPDE3AEGFR
SCHEMBL10839817 0.73 PNMT (0.39) MEN1KMT2ACHRNB2CHRNA4
SCHEMBL8258749 0.73 PDE3B (0.44) DRD2DRD3PDE3BPDE3AEGFR
SCHEMBL5208272 0.73 TSHR (0.49) TSHRLMNA
SCHEMBL5213527 0.73 TSHR (0.49) TSHRLMNA
SCHEMBL5208279 0.73 TSHR (0.49) TSHRLMNA
SCHEMBL7362916 0.72 SLC22A1 (0.52) DRD2DRD3SLC22A1CYP3A4CYP2D6

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-0198264-A2 Carbamoyl imidazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 — — EP disclosed
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