SCHEMBL9865362

SCHEMBL9865362

CCN(CC)CCOC(=O)c1ccc(NC(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.65
ALDH1A1 P00352 4/20 0.65
TSHR P16473 2/20 0.65
CYP2D6 P10635 1/20 0.65
MAOA P21397 1/20 0.65
HTR3A P46098 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
BLM P54132 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
LMNA P02545 3/20 0.62
SCN1A P35498 1/20 0.62
SCN2A Q99250 1/20 0.62
SCN3A Q9NY46 1/20 0.62
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 3/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL3364980 0.89 HPGD (0.68) SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA
SCHEMBL10519932 0.85 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA
SCHEMBL4295410 0.85 HRH3 (0.68) SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA
SCHEMBL94128 0.85 HRH3 (0.68) SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA
Bicarbonate SCHEMBL1021919 0.84 HRH3 (0.63) SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA
SCHEMBL10519924 0.84 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA
SCHEMBL9576578 0.84 HRH3 (0.71) SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA
SCHEMBL6677 0.84 HRH3 (0.67) SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA
SCHEMBL5582633 0.83 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA
SCHEMBL8489298 0.83 TSHR (0.74) SMN1; SMN2ALDH1A1TSHRCYP2D6MAOA

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-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
US-4902707-A Bicyclic pyrazolidinones, compositions and use ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed
US-4826992-A MICROBIOCIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
EP-0310214-A2 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1989-04-05 EP disclosed
EP-0203723-A1 2,3-(dihydro)bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202794-A1 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed