SCHEMBL9687582

SCHEMBL9687582

O=C(Cc1ccccc1)NCCc1c2c(n3ccccc13)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
TRPV1 Q8NER1 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B2 P37059 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
SCHEMBL9688808 0.93 ALDH1A1 (0.42) HPGDALDH1A1HSD17B10GAACA1
Hydrochloric Acid SCHEMBL9688700 0.91 ALDH1A1 (0.41) HPGDALDH1A1HSD17B10GAACA1
SCHEMBL9687546 0.90 HPGD (0.51) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL9687685 0.90 HDAC1 (0.45) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL10474647 0.85 MTNR1A (0.41) HPGDALDH1A1HSD17B10GAAMEN1
SCHEMBL10377881 0.80 DPP7 (0.43) ALDH1A1GAACA1CA2MEN1
Hydrochloric Acid SCHEMBL10377648 0.79 GAA (0.44) ALDH1A1GAACA1CA2MEN1
SCHEMBL9688594 0.79 TP53 (0.45) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL9688674 0.79 HRH3 (0.47) GAAMAPTTP53
SCHEMBL9689143 0.78 ESRRG (0.42) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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 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