SCHEMBL14224854

SCHEMBL14224854

C=C(CCN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.71
LMNA P02545 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2D6 P10635 2/20 0.71
PMP22 Q01453 2/20 0.71
KMT2A Q03164 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
ABCB11 O95342 1/20 0.71
CYP2C9 P11712 1/20 0.71
BLM P54132 1/20 0.71
HRH4 Q9H3N8 8/20 0.64
DRD4 P21917 6/20 0.64
HTR2A P28223 6/20 0.64
HTR2C P28335 5/20 0.64
HRH1 P35367 5/20 0.64
DRD2 P14416 4/20 0.64
HTR1A P08908 4/20 0.64
DRD3 P35462 4/20 0.64
HRH2 P25021 3/20 0.64

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
SCHEMBL5946392 0.91 MEN1 (0.81) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5946345 0.87 MEN1 (0.79) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5946369 0.86 MEN1 (0.77) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5946376 0.86 MEN1 (0.76) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5946357 0.85 MEN1 (0.74) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL31098210 0.85 HRH4 (0.73) MEN1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5946431 0.84 MEN1 (0.68) MEN1LMNACYP1A2CYP3A4CYP2D6
Loxapine SCHEMBL5500954 0.83 LMNA (1.00) MEN1LMNACYP1A2CYP3A4CYP2D6
Loxapine SCHEMBL41643 0.83 LMNA (1.00) MEN1LMNACYP1A2CYP3A4CYP2D6
Loxapine SCHEMBL29414130 0.83 LMNA (1.00) MEN1LMNACYP1A2CYP3A4CYP2D6

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-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed