SCHEMBL9687673

SCHEMBL9687673

CN(C)c1ccc(C(=O)NCCc2c3c(n4ccccc24)CCCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
ACHE P22303 8/20 0.46
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
HDAC1 Q13547 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 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
Hydrochloric Acid SCHEMBL9687468 0.98 ACHE (0.47) NAMPTACHEKMT2ASMN1; SMN2NPC1
SCHEMBL9687685 0.87 HDAC1 (0.45) KMT2AHPGDHDAC1TP53MAPT
SCHEMBL9689143 0.87 ESRRG (0.42) ACHEKMT2ASMN1; SMN2NPC1HDAC1
Hydrochloric Acid SCHEMBL9688647 0.86 ESRRG (0.41) ACHEKMT2ASMN1; SMN2NPC1HDAC1
SCHEMBL9687505 0.85 ACHE (0.44) NAMPTACHEKMT2ASMN1; SMN2NPC1
SCHEMBL9688632 0.83 RAB9A (0.52) KMT2ASMN1; SMN2NPC1LMNATP53
SCHEMBL10377746 0.81 CA12 (0.40) KMT2AHDAC1LMNATP53MAPT
SCHEMBL10377910 0.81 ALDH1A1 (0.39) NAMPTKMT2ASMN1; SMN2NPC1HPGD
Hydrochloric Acid SCHEMBL10644127 0.81 NAMPT (0.37) NAMPTKMT2ASMN1; SMN2NPC1HPGD
Hydrochloric Acid SCHEMBL10575065 0.81 CA12 (0.39) KMT2AHDAC1LMNAMAPT

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 2 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