SCHEMBL21893525

SCHEMBL21893525

CC1CCC(O)C(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.43
▸ MAOA P21397 7/20 0.43
▸ KDM1A O60341 5/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ CYP2B6 P20813 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL7053772 0.89 MAOB (0.52) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL27488357 0.86 MAOB (0.42) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL15178310 0.77 SLC18A3 (0.54) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL17846315 0.77 SLC18A3 (0.54) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL407263 0.77 SLC18A3 (0.59) CYP1A2CYP2D6CYP2C9SLC18A3BLM
SCHEMBL8746667 0.77 SLC18A3 (0.59) CYP1A2CYP2D6CYP2C9SLC18A3BLM
SCHEMBL4606959 0.77 SLC18A3 (0.54) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL1149307 0.77 SLC18A3 (0.59) CYP1A2CYP2D6CYP2C9SLC18A3BLM
SCHEMBL3414993 0.77 SLC18A3 (0.59) CYP1A2CYP2D6CYP2C9SLC18A3BLM
SCHEMBL3693152 0.77 SLC18A3 (0.59) CYP1A2CYP2D6CYP2C9SLC18A3BLM

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
US-20200087534-A1 COMPOSITION OF SPIN-ON MATERIALS CONTAINING METAL OXIDE NANOPARTICLES AND AN ORGANIC POLYMER AZ ELECTRONIC MATERIALS S.À R.L. (LU) 2020-03-19 — — US disclosed
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