SCHEMBL7439625

SCHEMBL7439625

C=CCNC(c1ccccc1)C(OCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33

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 SCHEMBL28844529 0.79 SMN1; SMN2 (0.37) SMN1; SMN2L3MBTL1POLBATMALDH1A1
SCHEMBL10635951 0.75 AOC3 (0.48) L3MBTL1POLBATMHTTLMNA
Hydrochloric Acid SCHEMBL18553839 0.74 MEN1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
SCHEMBL10838992 0.73 CYP2C19 (0.43) SMN1; SMN2L3MBTL1POLBATMALDH1A1
SCHEMBL3234142 0.71 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1ATMALDH1A1MEN1
SCHEMBL479277 0.71 CYP3A4 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
SCHEMBL1387573 0.71 CYP3A4 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
SCHEMBL8119644 0.71 CYP3A4 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL2322263 0.70 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1ATMALDH1A1MEN1
SCHEMBL10582023 0.70 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1POLBATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0652892-B1 LACTAM DIPEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LTD (GB) 1997-08-20 EP disclosed
EP-0652892-A1 LACTAM DIPEPTIDES HAVING HLE INHIBITING ACTIVITY. ZENECA LTD (GB) 1995-05-17 EP disclosed
US-5405852-A Amide derivatives ZENECA LIMITED (GB) 1995-04-11 US disclosed
WO-1993024519-A1 LACTAM DIPEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1993-12-09 WO disclosed