SCHEMBL9735615

SCHEMBL9735615

Cn1cc(CC(OCC(O)CNC2CCCCC2)C(=O)c2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
ABCB1 P08183 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
PRMT5 O14744 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 1/20 0.38
SLC2A1 P11166 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL9736504 0.86 OPRM1 (0.40) MEN1KMT2APRMT5ADRB2ADRB1
Hydrochloric Acid SCHEMBL10829874 0.85 ABCB1 (0.52) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL10830708 0.85 ABCB1 (0.51) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL10830619 0.83 ABCB1 (0.48) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL9735739 0.81 OPRM1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL9737525 0.81 KDM4E (0.38) MEN1KMT2APOLBPRMT5KDM4E
Hydrochloric Acid SCHEMBL10829780 0.80 MEN1 (0.45) LMNACYP1A2CYP2D6SCN1ASCN2A
SCHEMBL9742031 0.79 OPRM1 (0.41) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9736627 0.77 MEN1 (0.43) LMNACYP2D6ABCB1MEN1KMT2A
SCHEMBL10991865 0.76 KMT2A (0.42) LMNACYP1A2CYP2D6SCN1ASCN2A

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-5118685-A Antiarrhythmia agents BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed