SCHEMBL9251693

SCHEMBL9251693

CC(NCCc1cccc2c1OCO2)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.52
KDM4C Q9H3R0 1/20 0.46
FAAH O00519 1/20 0.42
HTR2A P28223 3/20 0.41
HTR2C P28335 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MT-CO2 P00403 1/20 0.38
ALKBH1 Q13686 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 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
SCHEMBL1011204 0.78 MTNR1A (0.82) MTNR1AKDM4C
SCHEMBL31688731 0.76 MTNR1A (0.47) MTNR1AKDM4CFAAHMEN1ALDH1A1
SCHEMBL9251696 0.76 MTNR1A (0.51) MTNR1AKDM4CFAAHHTR2AHTR2C
SCHEMBL29714981 0.75 POLB (0.45) MTNR1AKDM4CFAAHHTR2AALDH1A1
SCHEMBL166877 0.74 KDM4C (0.51) MTNR1AKDM4CFAAHMEN1ALDH1A1
SCHEMBL11754720 0.74 KDM4C (0.46) MTNR1AKDM4CFAAHMEN1ALDH1A1
SCHEMBL9160629 0.73 MTNR1A (0.48) MTNR1AKDM4CFAAHMEN1ALDH1A1
SCHEMBL7377233 0.73 KDM4C (0.47) MTNR1AKDM4CFAAHALDH1A1SMN1; SMN2
SCHEMBL7141884 0.73 KDM4E (0.47) MEN1ALDH1A1MAPTKMT2A
SCHEMBL9362028 0.73 SIGMAR1 (0.56) MEN1ALDH1A1MAPTPKMKMT2A

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