SCHEMBL8844829

SCHEMBL8844829

COc1cccc2c1ccc(=O)n2CCCCl

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.46
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TNF P01375 2/20 0.40
LITAF Q99732 2/20 0.40
GAA P10253 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTR2C P28335 1/20 0.38
HASPIN Q8TF76 1/20 0.38
DYRK2 Q92630 1/20 0.38
CCR2 P41597 1/20 0.38
TP53 P04637 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
SCHEMBL28033876 0.83 MTNR1B (0.40) KCNA3MAPTGAAMTNR1AMTNR1B
SCHEMBL4096894 0.81 KDM4E (0.43) LMNATLR8ALDH1A1
SCHEMBL2800336 0.77 TNFRSF1A (0.43) KCNA3MAPTMTNR1AMTNR1BALDH1A1
SCHEMBL17576252 0.76 KDM4E (0.49) KCNA3POLBMAPTHTTGAA
Hydrochloric Acid SCHEMBL9083559 0.75 HTR7 (0.55)
SCHEMBL9364262 0.75 SIGMAR1 (0.58) LMNAMAPTALDH1A1TP53
SCHEMBL2798034 0.73 CCR2 (0.39) TSHRLMNAMTNR1AMTNR1BHTR2C
SCHEMBL9364073 0.72 HTR1A (0.47)
SCHEMBL4101677 0.71 CA12 (0.50) TSHRNPSR1ALDH1A1
SCHEMBL9499742 0.71 DAO (0.51) LMNAPOLBMAPTHTTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5656633-A Carbostyril derivatives and pharmaceutical compositions containing the same for use as a disturbance-of-consciousness improving agent, central nervous system stimulant or sigma receptor agonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5556857-A SIGMA RECEPTOR AGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-17 US disclosed
EP-0512525-B1 Carbostyril derivatives and pharmaceutical compositions containing the same for use as a disturbance-of-consciousness improving agent, central nervous system stimulant or sigma receptor agonist OTSUKA PHARMA CO LTD (JP) 1994-11-30 EP disclosed
EP-0512525-A1 Carbostyril derivatives and pharmaceutical compositions containing the same for use as a disturbance-of-consciousness improving agent, central nervous system stimulant or sigma receptor agonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed