SCHEMBL8655841

SCHEMBL8655841

O=C(C(CCCl)c1ccccc1)N1CCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
HTR1D P28221 1/20 0.52
HTR2B P41595 1/20 0.52
CHRM1 P11229 8/20 0.50
EPHX2 P34913 1/20 0.49
HPGD P15428 4/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.47
DPP7 Q9UHL4 1/20 0.46
NTSR1 P30989 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8995915 0.86 DPP7 (0.49) HPGDMAPTKMT2AGAADPP7
SCHEMBL8405067 0.86 HTR1A (0.53) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL8761484 0.86 HTR1A (0.53) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL9910968 0.83 KCNQ2 (0.56) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL1589765 0.82 HTR1A (0.53) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL8405468 0.81 HPGD (0.52) HTR1AHTR1DHTR2BCHRM1HPGD
SCHEMBL10575998 0.81 HTR1A (0.52) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL8761469 0.81 EPHX2 (0.52) HTR1AHTR1DHTR2BCHRM1EPHX2
SCHEMBL3596195 0.80 CHRM1 (0.55) CHRM1EPHX2HPGDKDM4EMAPT
SCHEMBL8995919 0.80 NPC1 (0.49) HTR1AHTR1DHTR2BKMT2ADPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0678090-B1 PIPERAZINE DERIVATIVES WYETH JOHN & BROTHER LTD (GB) 1998-10-14 EP disclosed
EP-0793663-A1 (THIOPHEN-2-YL)-PIPERIDIN OR TETRAHYDROPYRIDIN CARBOXAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-10 EP disclosed
EP-0687257-B1 4-AMINO-2-(HETERO)ARYL-BUTANAMIDES USEFUL AS 5-HT1A-ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 1997-06-18 EP disclosed
US-5627177-A Piperazine derivatives JOHN WYETH & BROTHER, LTD. (GB) 1997-05-06 US disclosed
US-5610295-A 4-amino-2-(hetero)aryl-butanamides useful as 5-HT1A -antagonists JOHN WYETH & BROTHER, LTD. (GB) 1997-03-11 US disclosed
US-5541179-A Tropon-2-one piperazine carboxamides as serotonergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-30 US disclosed
US-5527794-A RELIEVING SYMPTOMS OF ANXIETY AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-18 US 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
WO-1996012721-A1 INDOLE DERIVATIVES USEFUL AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-02 WO disclosed
EP-0687257-A1 4-AMINO-2-(HETERO)ARYL-BUTANAMIDES USEFUL AS 5-HT1A-ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 1995-12-20 EP disclosed
US-5466688-A Antidepressants, anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-14 US disclosed
EP-0678090-A1 PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1995-10-25 EP disclosed
WO-1994020481-A1 4-AMINO-2-(HETERO)ARYL-BUTANAMIDES USEFUL AS 5-HT1A-ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1994-09-15 WO disclosed
WO-1994015919-A1 PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1994-07-21 WO disclosed