SCHEMBL9251696

SCHEMBL9251696

O=C(O)CCNCCc1cccc2c1OCO2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.51
KDM4C Q9H3R0 1/20 0.48
HTR2A P28223 3/20 0.45
HTR2C P28335 1/20 0.45
FAAH O00519 1/20 0.44
ALKBH1 Q13686 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
TGM2 P21980 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL166877 0.85 KDM4C (0.51) MTNR1AKDM4CFAAHALKBH1POLB
SCHEMBL9160573 0.80 MTNR1A (0.56) MTNR1AKDM4CFAAH
SCHEMBL1011204 0.77 MTNR1A (0.82) MTNR1AKDM4C
SCHEMBL9251693 0.76 MTNR1A (0.52) MTNR1AKDM4CHTR2AHTR2CFAAH
SCHEMBL3402977 0.76 KDM4C (0.50) MTNR1AKDM4CFAAHALKBH1POLB
SCHEMBL28567024 0.75 MTNR1A (0.48) MTNR1AKDM4CFAAHALKBH1POLB
SCHEMBL3430852 0.75 MTNR1A (0.62) MTNR1AKDM4CKDM4E
SCHEMBL11957288 0.73 MTNR1A (0.52) MTNR1AKDM4CHTR2AHTR2CFAAH
SCHEMBL6649870 0.72 MTNR1A (0.71) MTNR1AMAPK1KDM4E
SCHEMBL7771835 0.72 KDM4C (0.46) MTNR1AKDM4CHTR2AHTR2CFAAH

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-5389638-A Nervous system disorders ABBOTT LABORATORIES (US) 1995-02-14 US disclosed