SCHEMBL7593773

SCHEMBL7593773

CC(=O)OC(CCCCl)C(=O)Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
TRPV1 Q8NER1 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL5355970 0.84 ALDH1A1 (0.39) TSHRFAAH
SCHEMBL7591938 0.84 TSHR (0.34) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL5355975 0.84 ALDH1A1 (0.39) TSHRFAAH
SCHEMBL23779935 0.79 TSHR (0.37) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL23779934 0.79 TSHR (0.37) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL3143929 0.78 TSHR (0.36) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL17169905 0.75 TSHR (0.37) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL9194615 0.74 RNPEP (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL5200741 0.74 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17164473 0.73 TSHR (0.36) TSHRTRPV1CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
EP-0573289-B1 Process for preparation of 2-oxo-1-piperidinyl derivatives BRACCO INT BV (NL) 1999-04-28 EP disclosed
US-5628980-A Nonionic radiographic contrast agents BRACCO INTERNATIONAL B.V. (NL) 1997-05-13 US disclosed
US-5614638-A Nonionic radiographic contrast agents BRACCO INTERNATIONAL B.V. (NL) 1997-03-25 US disclosed
US-5591846-A Nonionic radiographic contrast agents BRACCO INTERNATIONAL B.V. 1997-01-07 US disclosed
US-5559237-A Process for preparation of 2-oxo-1-piperidinyl derivatives BRACCO INTERNATIONAL B.V. (NL) 1996-09-24 US disclosed
US-5359077-A Process for preparation of 2-oxo-1 piperidinyl derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-25 US disclosed
EP-0573289-A2 Process for preparation of 2-oxo-1-piperidinyl derivatives BRACCO INTERNATIONAL B.V. (NL) 1993-12-08 EP disclosed