SCHEMBL9528006

SCHEMBL9528006

CCC(CCN1CCCCC1)COc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
LMNA P02545 2/20 0.52
LTA4H P09960 2/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC6A4 P31645 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43

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 SCHEMBL9376586 0.97 KMT2A (0.52) HRH3LMNALTA4HMEN1HTT
Hydrochloric Acid SCHEMBL9527673 0.84 KMT2A (0.59) HRH3LMNAMEN1HTTKMT2A
SCHEMBL9531948 0.84 HRH3 (0.59) HRH3LTA4HMEN1KMT2A
SCHEMBL9528660 0.82 LTA4H (0.62) HRH3LTA4HPSMB1PSMB5TSHR
Hydrochloric Acid SCHEMBL9530694 0.81 LTA4H (0.61) HRH3LTA4HPSMB1PSMB5TSHR
Hydrochloric Acid SCHEMBL9706758 0.80 MEN1 (0.44) HRH3LMNALTA4HMEN1HTT
Hydrochloric Acid SCHEMBL9528258 0.77 HRH3 (0.60) HRH3LMNALTA4HMEN1HTT
SCHEMBL9527962 0.76 BACE1 (0.63) HRH3LTA4HALDH1A1TSHR
Hydrochloric Acid SCHEMBL9533399 0.76 LTA4H (0.53) HRH3LMNALTA4HHTTKMT2A
SCHEMBL9699167 0.76 ALDH1A1 (0.45) HRH3ALDH1A1THRBCACNA1HCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542844-A1 3-SUBSTITUTED PIPERIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP claimed