SCHEMBL10856311

SCHEMBL10856311

CCCN(CCC)CCCC1c2c(c3cc(Cl)ccc3n2C)CCN1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 5/20 0.43
▸ SIRT1 Q96EB6 1/20 0.38
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KIF11 P52732 2/20 0.34
▸ OXER1 Q8TDS5 3/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33

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
SCHEMBL10815637 0.90 KDM4E (0.43) KMT2AKDM4EGAAALDH1A1LMNA
SCHEMBL10852619 0.90 BAZ2B (0.45) BAZ2BSIRT1KDM4EGAAALDH1A1
SCHEMBL10816136 0.89 BAZ2B (0.42) BAZ2BSIRT1KMT2AKIF11OXER1
SCHEMBL10810544 0.87 BAZ2B (0.43) BAZ2BSIRT1KDM4EGAAALDH1A1
SCHEMBL10804503 0.87 ABCB1 (0.40) KDM4EGAAALDH1A1MAPTHDAC1
SCHEMBL10816796 0.84 ABCB1 (0.39) KDM4EGAAALDH1A1MAPT
SCHEMBL10854756 0.83 ABCB1 (0.40) KMT2AKDM4EALDH1A1
SCHEMBL11113912 0.80 EGFR (0.41) KMT2AKDM4EGAAALDH1A1LMNA
SCHEMBL10858216 0.79 KDM4E (0.42) KMT2AKDM4EGAAALDH1A1LMNA
SCHEMBL10815996 0.78 ABCB1 (0.39) KDM4EGAAALDH1A1MAPT

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-4575508-A 2-Substituted 1-(3'-aminoalkyl)-1,2,3,4-tetrahydro-β-carbolines, and their use as antiarrhythmic agents BASF AKTIENGESELLSCHAFT (DE) 1986-03-11 — — US disclosed
Send feedback