SCHEMBL9654091

SCHEMBL9654091

O=C1CCc2c(OCC3CO3)ccc(Cl)c2N1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9384498 0.87 ALDH1A1 (0.46) ALDH1A1GLATDP1HTR2ASLC6A4
SCHEMBL9652974 0.86 ALDH1A1 (0.38) ALDH1A1GLATDP1HTR2ASLC6A4
SCHEMBL9651024 0.86 HTR2A (0.44) ALDH1A1GLATDP1HTR2ASLC6A4
SCHEMBL9385939 0.86 ALDH1A1 (0.41) ALDH1A1GLATDP1HTR2ASLC6A4
SCHEMBL9384482 0.83 ALDH1A1 (0.36) ALDH1A1GLATDP1HTR2ASLC6A4
SCHEMBL11381634 0.83 ALDH1A1 (0.39) ALDH1A1GLATDP1HTR2ASLC6A4
SCHEMBL11380495 0.83 ALDH1A1 (0.36) ALDH1A1GLATDP1HTR2ASLC6A4
SCHEMBL11378856 0.82 ALDH1A1 (0.35) ALDH1A1GLATDP1HTR2ASLC6A4
SCHEMBL7091814 0.81 BRD4 (0.42) ALDH1A1GLATDP1
SCHEMBL9534845 0.81 VDR (0.41) ALDH1A1GLATDP1HTR2ASLC6A4

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
EP-0467325-A2 Carbostyril derivatives SYNTEX (U.S.A.) INC. (US) 1992-01-22 EP disclosed
US-5082847-A Antiarrhythmia SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed
US-4824840-A ANTIHISTAMINES, NERVOUS SYSTEM CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-25 US disclosed
US-4734416-A ANTIHISTAMINES, CENTRAL NERVOUS SYSTEM CONTROLLING ACTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US disclosed