SCHEMBL9688802

SCHEMBL9688802

Nc1ccc(CC(=O)NCCc2c3n(c4ccccc24)CCCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.50
MTNR1B P49286 12/20 0.50
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TERT O14746 1/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR6 P50406 1/20 0.39
CYP2D6 P10635 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 SCHEMBL9688696 0.98 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1HPGDTERT
Hydrochloric Acid SCHEMBL9688707 0.98 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1HPGDTERT
SCHEMBL9687575 0.93 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1HPGDTERT
SCHEMBL9687679 0.87 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1HPGDTERT
SCHEMBL9687600 0.86 MTNR1A (0.46) MTNR1AMTNR1BCYP2D6
Hydrochloric Acid SCHEMBL9688642 0.85 MTNR1A (0.45) MTNR1AMTNR1BCYP2D6
SCHEMBL9687538 0.83 MTNR1A (0.57) MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL10474646 0.83 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1HPGDTERT
SCHEMBL10377819 0.80 HTR6 (0.41) MTNR1AMTNR1BHTR6
SCHEMBL9689411 0.80 NPC1 (0.45) MTNR1AMTNR1BHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP claimed
EP-0279125-A1 Tetrahydropyrido(1,2-a)indole derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-08-24 EP claimed