SCHEMBL9687497

SCHEMBL9687497

CN(C)c1ccc(C(=O)NCCc2c3n(c4ccccc24)C(=O)CCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 8/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HDAC6 Q9UBN7 4/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 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
SCHEMBL9687727 0.90 NAMPT (0.46) NAMPTKMT2AALDH1A1MAPTTSHR
SCHEMBL9688855 0.89 RAB9A (0.47) KMT2AALDH1A1HDAC6HDAC1GAA
SCHEMBL9687680 0.87 HDAC1 (0.43) KMT2AALDH1A1MAPTHDAC1HPGD
SCHEMBL9687666 0.83 NAMPT (0.46) NAMPTKMT2AACHEALDH1A1GAA
SCHEMBL10572796 0.82 ALDH1A1 (0.43) NAMPTKMT2AALDH1A1MAPTTSHR
SCHEMBL10377658 0.82 CA12 (0.40) KMT2AALDH1A1MAPTTSHRHDAC6
SCHEMBL9687710 0.82 NPC1 (0.42) NAMPTKMT2AALDH1A1MAPTTSHR
Hydrochloric Acid SCHEMBL9687465 0.82 ACHE (0.47) NAMPTACHEALDH1A1DRD2DRD4
Hydrochloric Acid SCHEMBL9687471 0.82 ACHE (0.47) NAMPTACHEALDH1A1DRD2DRD4
Hydrochloric Acid SCHEMBL10574395 0.81 ALDH1A1 (0.42) NAMPTKMT2AALDH1A1MAPTTSHR

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