SCHEMBL9687575

SCHEMBL9687575

O=C(Cc1ccccc1)NCCc1c2n(c3ccccc13)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.53
MTNR1B P49286 12/20 0.53
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TERT O14746 1/20 0.46
GAA P10253 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9688802 0.93 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1HPGDTERT
Hydrochloric Acid SCHEMBL9688696 0.91 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1HPGDTERT
Hydrochloric Acid SCHEMBL9688707 0.91 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1HPGDTERT
SCHEMBL9687538 0.90 MTNR1A (0.57) MTNR1AMTNR1BALDH1A1HPGD
SCHEMBL9687679 0.90 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1HPGDTERT
SCHEMBL10474646 0.85 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1HPGDTERT
SCHEMBL9688376 0.82 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1HPGDTERT
SCHEMBL10377880 0.80 DPP7 (0.49) MTNR1AMTNR1BALDH1A1GAA
SCHEMBL9688248 0.79 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1HPGDTERT
Hydrochloric Acid SCHEMBL10377647 0.79 DPP7 (0.48) MTNR1AMTNR1BGAA

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