SCHEMBL18756188

SCHEMBL18756188

CC(C)CNCCC(C)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.40
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRM1 P35372 1/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32

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
SCHEMBL80162 1.00 ANPEP (0.40) ANPEPALDH1A1TSHRMAPK1OPRM1
SCHEMBL80772 1.00 ANPEP (0.40) ANPEPALDH1A1TSHRMAPK1OPRM1
Hydrochloric Acid SCHEMBL22584731 0.97 ANPEP (0.39) ANPEPALDH1A1TSHRMAPK1OPRM1
Hydrochloric Acid SCHEMBL83158 0.97 ANPEP (0.39) ANPEPALDH1A1TSHRMAPK1OPRM1
Hydrochloric Acid SCHEMBL82652 0.97 ANPEP (0.39) ANPEPALDH1A1TSHRMAPK1OPRM1
SCHEMBL3695740 0.83 OPRM1 (0.41) ALDH1A1TSHRMAPK1OPRM1GABRP
SCHEMBL83119 0.81 ALDH1A1 (0.36) ANPEPALDH1A1TSHRMAPK1OPRM1
SCHEMBL81736 0.81 ALDH1A1 (0.36) ANPEPALDH1A1TSHRMAPK1OPRM1
SCHEMBL7778093 0.80 ADH1B (0.39) ANPEPALDH1A1ADH1BADH1CADH1A
SCHEMBL12248118 0.80 OPRM1 (0.39) ALDH1A1TSHRMAPK1OPRM1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103080844-B Rinse liquid for lithography and method for forming pattern using same MERCK PATENT GMBH 2015-05-13 CN claimed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP disclosed
CN-103080844-B Rinse liquid for lithography and method for forming pattern using same MERCK PATENT GMBH 2015-05-13 CN disclosed