SCHEMBL9687538

SCHEMBL9687538

O=C(CCc1ccccc1)NCCc1c2n(c3ccccc13)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.57
MTNR1B P49286 10/20 0.57
HPGD P15428 1/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 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
SCHEMBL9687575 0.90 MTNR1A (0.53) MTNR1AMTNR1BHPGDALDH1A1
SCHEMBL10474646 0.89 MTNR1A (0.62) MTNR1AMTNR1BHPGDKMT2AALDH1A1
SCHEMBL9688376 0.85 MTNR1A (0.55) MTNR1AMTNR1BHPGDKMT2AALDH1A1
SCHEMBL9688802 0.83 MTNR1A (0.50) MTNR1AMTNR1BHPGDALDH1A1
SCHEMBL9688248 0.83 MTNR1A (0.55) MTNR1AMTNR1BHPGDKMT2AALDH1A1
SCHEMBL9688587 0.82 MTNR1A (0.54) MTNR1AMTNR1BHPGDKMT2AALDH1A1
SCHEMBL9688069 0.82 HPGD (0.47) MTNR1AMTNR1BHPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL9688707 0.81 MTNR1A (0.48) MTNR1AMTNR1BHPGDALDH1A1
Hydrochloric Acid SCHEMBL9688696 0.81 MTNR1A (0.48) MTNR1AMTNR1BHPGDALDH1A1
SCHEMBL9687679 0.81 MTNR1A (0.50) MTNR1AMTNR1BHPGDALDH1A1

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