SCHEMBL8969209

SCHEMBL8969209

O=C(NCCc1ccccc1)C1CCc2ccccc2O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
TAAR1 Q96RJ0 5/20 0.50
HPGD P15428 3/20 0.48
HTT P42858 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MC4R P32245 1/20 0.46

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
SCHEMBL3805463 0.87 CYP1A2 (0.54) MEN1KMT2AHPGDHTTHDAC3
SCHEMBL30982230 0.80 CYP2D6 (0.46) MEN1KMT2ATAAR1HPGDHTT
SCHEMBL8969478 0.79 TAAR1 (0.51) MEN1KMT2ATAAR1HPGDALDH1A1
SCHEMBL9379406 0.79 MEN1 (0.46) MEN1KMT2ATAAR1HPGDGAA
SCHEMBL7320109 0.78 HDAC3 (0.46) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL11530821 0.78 LMNA (0.47) MEN1KMT2AHPGDHTTHDAC3
SCHEMBL24496758 0.78 HDAC3 (0.52) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL29587707 0.78 HDAC3 (0.52) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL24496757 0.78 HDAC3 (0.52) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL11471664 0.77 ALDH1A1 (0.46) MEN1KMT2ATAAR1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585392-A TREATING OR PREVENTING STROKES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed