SCHEMBL3844238

SCHEMBL3844238

O=C(Nn1ccc2ccccc21)C1CCCN(CCN2CCN(c3ccccc3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
DRD4 P21917 2/20 0.52
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCR5 P51681 1/20 0.41
UBE2N P61088 1/20 0.41
SLC6A1 P30531 1/20 0.40
SLC6A11 P48066 1/20 0.40
HTR1A P08908 2/20 0.39
HTR2A P28223 1/20 0.39

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
Hydrochloric Acid SCHEMBL4512128 0.99 DRD2 (0.51) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL3834055 0.91 MTNR1A (0.46) DRD3MEN1KMT2AMTNR1AMTNR1B
SCHEMBL3837809 0.90 KMT2A (0.47) MEN1KMT2AMAPTGAAMTNR1A
SCHEMBL3841806 0.90 KMT2A (0.47) MEN1KMT2AMAPTGAAMTNR1A
SCHEMBL3837733 0.89 MTNR1A (0.42) DRD3MEN1KMT2AMTNR1AMTNR1B
SCHEMBL3838218 0.89 CNR2 (0.44) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL3829260 0.89 MTNR1A (0.43) DRD3MEN1KMT2AMTNR1AMTNR1B
SCHEMBL3837724 0.89 MTNR1A (0.43) MEN1KMT2AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL3837761 0.86 KDM4E (0.47) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL3878483 0.85 KDM2B (0.46) MTNR1AMTNR1BSMN1; SMN2LMNATP53

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-1931341-B1 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS SERVIER LAB (FR) 2009-11-04 EP disclosed