SCHEMBL8798591

SCHEMBL8798591

COc1ccsc1C1=CCN(CCC(C(=O)N2CCCCCC2)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.56
HTR1D P28221 1/20 0.56
HTR2B P41595 1/20 0.56
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
CHRM1 P11229 4/20 0.39
CACNA1G O43497 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A4 P31645 1/20 0.38
CCR8 P51685 1/20 0.37
HCRTR2 O43614 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
MITF O75030 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8798584 1.00 HTR1A (0.56) HTR1AHTR1DHTR2BALDH1A1LMNA
Hydrochloric Acid SCHEMBL8958128 0.99 HTR1A (0.55) HTR1AHTR1DHTR2BALDH1A1LMNA
Hydrochloric Acid SCHEMBL8957939 0.99 HTR1A (0.55) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL8783796 0.87 HTR1A (0.42) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL8784003 0.87 HTR1A (0.42) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL8783793 0.87 HTR1A (0.42) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL7937291 0.85 HTR1A (0.62) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL8799021 0.77 HTR1A (0.61) HTR1AHTR1DHTR2BALDH1A1LMNA
SCHEMBL8796977 0.77 HTR1A (0.61) HTR1AHTR1DHTR2BALDH1A1LMNA
Hydrochloric Acid SCHEMBL8798496 0.76 HTR1A (0.60) HTR1AHTR1DHTR2BALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793663-A1 (THIOPHEN-2-YL)-PIPERIDIN OR TETRAHYDROPYRIDIN CARBOXAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-10 EP claimed
US-5525600-A COMPOUND USEFUL AS ANTIPSYCHOTIC, ANTIDEPRESSANT AND ANXIBLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-11 US claimed
WO-1996016961-A1 (THIOPHEN-2-YL)-PIPERIDIN OR TETRAHYDROPYRIDIN CARBOXAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-06 WO claimed
EP-0793663-A1 (THIOPHEN-2-YL)-PIPERIDIN OR TETRAHYDROPYRIDIN CARBOXAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-10 EP disclosed
US-5525600-A COMPOUND USEFUL AS ANTIPSYCHOTIC, ANTIDEPRESSANT AND ANXIBLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-11 US disclosed
WO-1996016961-A1 (THIOPHEN-2-YL)-PIPERIDIN OR TETRAHYDROPYRIDIN CARBOXAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-06 WO disclosed