SCHEMBL9740346

SCHEMBL9740346

O=C(O)C1CCCCN(Cc2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
APP P05067 1/20 0.45
NPY1R P25929 1/20 0.45
RAMP1 O60894 2/20 0.44
CALCRL Q16602 2/20 0.44
SRC P12931 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL9205385 0.99 L3MBTL1 (0.54) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL5369178 0.95 L3MBTL1 (0.49) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL27491805 0.89 HDAC1 (0.51) ALDH1A1KMT2AMEN1POLBCYP2D6
SCHEMBL892946 0.89 HDAC1 (0.51) ALDH1A1KMT2AMEN1POLBCYP2D6
SCHEMBL2070172 0.85 FKBP1A (0.54) L3MBTL1ALDH1A1KMT2AMEN1HDAC1
SCHEMBL6198420 0.84 L3MBTL1 (0.47) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL20303824 0.84 HRH3 (0.50) KMT2AMEN1HDAC1HDAC6SRC
SCHEMBL28116468 0.81 CCR8 (0.51) ALDH1A1KMT2AMEN1APPGAA
Hydrochloric Acid SCHEMBL5555279 0.80 FKBP1A (0.54) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL5361723 0.80 POLB (0.53) ALDH1A1KMT2APOLBCYP2C9CYP2C19

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed