SCHEMBL9687666

SCHEMBL9687666

CN(C)c1ccc(C(=O)NCCc2c3n(c4ccccc24)CCCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
ACHE P22303 8/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42

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 SCHEMBL9687465 0.98 ACHE (0.47) NAMPTMTNR1AMTNR1BACHEPTGDR2
Hydrochloric Acid SCHEMBL9687471 0.98 ACHE (0.47) NAMPTMTNR1AMTNR1BACHEPTGDR2
SCHEMBL9687679 0.87 MTNR1A (0.50) MTNR1AMTNR1BPTGDR2ALDH1A1GAA
SCHEMBL9687600 0.87 MTNR1A (0.46) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9688642 0.86 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL9688621 0.83 SMN1; SMN2 (0.52) MTNR1AMTNR1BALDH1A1GAAKMT2A
SCHEMBL9687497 0.83 NAMPT (0.43) NAMPTACHEALDH1A1GAAHPGD
SCHEMBL10572700 0.82 MTNR1A (0.43) NAMPTMTNR1AMTNR1B
SCHEMBL10377745 0.81 HTR6 (0.42) MTNR1AMTNR1BPTGDR2ALDH1A1GAA
Hydrochloric Acid SCHEMBL10644126 0.81 MTNR1A (0.42) NAMPTMTNR1AMTNR1B

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