SCHEMBL9688263

SCHEMBL9688263

NCCc1c2n(c3ccccc13)C(=O)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1R1 P14778 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
ALB P02768 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
HTR6 P50406 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.34
PER2 O15055 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33

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 SCHEMBL10377764 0.99 ALDH1A1 (0.48) IL1R1MEN1KMT2AALDH1A1MAPT
SCHEMBL7274363 0.82 KDM4E (0.40) ALDH1A1CA1CA2PER2KDM4E
SCHEMBL9797239 0.82 EGFR (0.47) MEN1KMT2AALDH1A1MAPTBCHE
SCHEMBL10379075 0.81 HTR6 (0.37) IL1R1MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL10378702 0.81 HTR6 (0.36) IL1R1MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL10572145 0.80 KDM4E (0.38) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL10378827 0.80 KAT2B (0.36) BCHEACHEALBPER2HDAC1
SCHEMBL9688412 0.80 BCHE (0.33) MEN1KMT2AALDH1A1BCHEACHE
SCHEMBL10377850 0.80 HTR6 (0.40) BCHEACHEALBCA1CA2
SCHEMBL10379104 0.79 SIGMAR1 (0.44) BCHEACHEALB

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 3 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 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