SCHEMBL7517495

SCHEMBL7517495

COc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1OCCN(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTR1D P28221 5/20 0.47
HTR1B P28222 5/20 0.47
MAPT P10636 3/20 0.46
APP P05067 1/20 0.45
BRD4 O60885 1/20 0.45
POLB P06746 1/20 0.45
CREBBP Q92793 1/20 0.45
CCR2 P41597 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
SCHEMBL6347317 0.90 HTR1A (0.51) HTR1DHTR1B
SCHEMBL6354568 0.81 HTR1D (0.57) HTR1DHTR1B
SCHEMBL7845970 0.72 KMT2A (0.58) DRD4MEN1KMT2AALDH1A1KDM4E
SCHEMBL6348488 0.72 HTR1D (0.57) HTR1DHTR1B
SCHEMBL6342285 0.70 HTR1A (0.64) HTR1DHTR1B
SCHEMBL5341488 0.70 HDAC1 (0.59) MEN1KMT2AALDH1A1KDM4EBRD4
Hydrochloric Acid SCHEMBL6342480 0.69 HTR1A (0.62) HTR1DHTR1B
SCHEMBL5345178 0.69 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4EBRD4
SCHEMBL27707244 0.69 KDM4E (0.64) KMT2AALDH1A1KDM4EBRD4POLB
SCHEMBL7092859 0.69 HRH2 (0.61) MEN1KMT2AALDH1A1KDM4EBRD4

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
EP-1140898-B1 AMIDE AND UREA DERIVATIVES AS 5-HT REUPTAKE INHIBITORS AND AS 5-HT1B/1D LIGANDS MERCK PATENT GMBH (DE) 2002-08-28 EP disclosed