SCHEMBL6991324

SCHEMBL6991324

CCCCCN1CCC(CCOc2ccccc2-c2ccccc2)C(OC)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 9/20 0.50
LMNA P02545 3/20 0.49
POLB P06746 3/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRM3 P20309 5/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL6991320 1.00 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1MAPK1KDM4E
Oxalic Acid SCHEMBL6991632 0.95 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPK1KDM4E
Oxalic Acid SCHEMBL6991637 0.95 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPK1KDM4E
SCHEMBL6993670 0.85 HRH1 (0.51) KMT2AMEN1KDM4ELMNATP53
SCHEMBL6993677 0.85 HRH1 (0.51) KMT2AMEN1KDM4ELMNATP53
SCHEMBL8561183 0.85 HRH1 (0.51) KMT2AMEN1KDM4ELMNATP53
SCHEMBL6993882 0.85 HRH1 (0.51) KMT2AMEN1KDM4ELMNATP53
SCHEMBL6995776 0.84 HTR1A (0.44) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL6995780 0.84 HTR1A (0.44) ALDH1A1KMT2AMEN1MAPK1LMNA
Oxalic Acid SCHEMBL6990281 0.82 HRH3 (0.58) ALDH1A1KMT2AMAPK1KDM4ELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853615-B1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2003-12-10 EP claimed
EP-0853615-B1 PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2003-12-10 EP disclosed