Sugi Predict

Sugi Predict / Compounds / SCHEMBL9687734

SCHEMBL9687734

SCHEMBL9687734

CN(C)c1cccc(C(=O)NCCc2c3c(n4ccccc24)C(=O)CCC3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.45
▸ KDM4E B2RXH2 6/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ POLB P06746 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ GFER P55789 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ MCHR1 Q99705 1/20 0.38

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
SCHEMBL9687719 0.91 ALDH1A1 (0.39) NAMPTKDM4ESMN1; SMN2POLBALDH1A1
SCHEMBL9687505 0.90 ACHE (0.44) NAMPTSMN1; SMN2ALDH1A1TP53TSHR
SCHEMBL9687552 0.86 NPC1 (0.43) SMN1; SMN2POLBALDH1A1TSHRGFER
Hydrochloric Acid SCHEMBL10379132 0.85 NPC1 (0.42) SMN1; SMN2POLBALDH1A1TSHRGFER
SCHEMBL9688578 0.85 NPC1 (0.46) KDM4ESMN1; SMN2POLBALDH1A1HSD17B10
SCHEMBL9689169 0.84 NPC1 (0.45) KDM4ESMN1; SMN2POLBALDH1A1HSD17B10
SCHEMBL10377573 0.83 NPC1 (0.38) SMN1; SMN2ALDH1A1HSD17B10TP53GFER
SCHEMBL9687896 0.83 ALDH1A1 (0.52) SMN1; SMN2POLBALDH1A1MAPTKMT2A
SCHEMBL10572812 0.82 PARP1 (0.36) SMN1; SMN2ALDH1A1HSD17B10TP53NPC1
Hydrochloric Acid SCHEMBL10574405 0.81 PARP1 (0.36) SMN1; SMN2ALDH1A1HSD17B10TP53NPC1

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 10 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-0167901-B1 ACTIVE COMPOUNDS LES LABORATOIRES BEECHAM S.A. (FR) 1990-04-04 — — 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-0167901-A2 Active compounds LES LABORATOIRES BEECHAM S.A. (FR) 1986-01-15 — — 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-0167901-B1 ACTIVE COMPOUNDS LES LABORATOIRES BEECHAM S.A. (FR) 1990-04-04 — — EP disclosed
US-4853391-A Pyrido[1,2-a]indoles and their use as cardiovascular LABORATOIRES SOBIO SA, 13-15-25 BOULEVARD DE 1'AMIRAL BRUIX 75782 PARIS, CEDEX 16, FRANCE 1989-08-01 — — 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
EP-0167901-A2 Active compounds LES LABORATOIRES BEECHAM S.A. (FR) 1986-01-15 — — EP disclosed