SCHEMBL9687679

SCHEMBL9687679

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.50
MTNR1B P49286 11/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
TP53 P04637 1/20 0.47
HDAC1 Q13547 1/20 0.45
TERT O14746 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL9687575 0.90 MTNR1A (0.53) MTNR1AMTNR1BTERTALDH1A1HPGD
SCHEMBL9687666 0.87 NAMPT (0.46) MTNR1AMTNR1BPTGDR2ALDH1A1HPGD
SCHEMBL9688802 0.87 MTNR1A (0.50) MTNR1AMTNR1BTERTALDH1A1HPGD
Hydrochloric Acid SCHEMBL9687471 0.85 ACHE (0.47) MTNR1AMTNR1BPTGDR2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9687465 0.85 ACHE (0.47) MTNR1AMTNR1BPTGDR2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9688707 0.85 MTNR1A (0.48) MTNR1AMTNR1BTERTALDH1A1HPGD
Hydrochloric Acid SCHEMBL9688696 0.85 MTNR1A (0.48) MTNR1AMTNR1BTERTALDH1A1HPGD
SCHEMBL9687680 0.85 HDAC1 (0.43) MTNR1AMTNR1BPTGDR2TP53HDAC1
SCHEMBL10377745 0.83 HTR6 (0.42) MTNR1AMTNR1BPTGDR2TP53ALDH1A1
Hydrochloric Acid SCHEMBL10379354 0.82 HTR6 (0.41) MTNR1AMTNR1BPTGDR2TP53ALDH1A1

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 5 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
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 disclosed
US-4968699-A CENTRAL NERVOUS SYSTEM; ANTIISCHEMIC AND ANTIHYPOXIC AGENTS; ACTIVE AGAINST CEREBRAL OXYGEN DEFICIENCY BEECHAM-WUELFING GMBH & CO. (DE) 1990-11-06 US disclosed
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 disclosed