SCHEMBL19019983

SCHEMBL19019983

CC1(C)CC(P(C2CC(C)(C)c3ccccc3C2(C)C)C2CC(C)(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.34
KDM1A O60341 4/20 0.31
MAOA P21397 4/20 0.31
MAOB P27338 4/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL9716878 0.75 HTR2C (0.36) HTR2CKDM1AMAOAMAOBNOTUM
SCHEMBL30388895 0.73 HTR2C (0.35) HTR2CKDM1AMAOAMAOBNOTUM
SCHEMBL9501829 0.73 MAOB (0.40) HTR2CKDM1AMAOAMAOB
SCHEMBL10363387 0.73 HTR2C (0.35) HTR2CKDM1AMAOAMAOBNOTUM
Benzene SCHEMBL5499312 0.72 MAOB (0.41) HTR2CKDM1AMAOAMAOB
SCHEMBL28259691 0.71 HTR2C (0.33) HTR2CKDM1AMAOAMAOB
SCHEMBL29662225 0.71 KDM1A (0.52) KDM1AMAOAMAOB
SCHEMBL7876469 0.69 HTR2C (0.33) HTR2C
SCHEMBL2343756 0.69 HTR2C (0.36) HTR2C
SCHEMBL3935759 0.67 NPSR1 (0.36) HTR2CKDM1ANOTUM

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-3184532-A1 PROCESS FOR MAKING ALKYLTIN TRIHALIDES AND THEIR USE ARKEMA B.V. (NL) 2017-06-28 EP disclosed