SCHEMBL9683778

SCHEMBL9683778

CC(CC1OCCc2ccccc21)NCC(O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.40
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
XBP1 P17861 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL9684696 0.91 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1KMT2ALMNA
SCHEMBL9683704 0.91 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1KMT2ALMNA
SCHEMBL9683619 0.91 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1KMT2ALMNA
SCHEMBL9684785 0.90 ADRB2 (0.44) KDM4ENPSR1SMN1; SMN2MAPK1MAPT
SCHEMBL9683608 0.90 XBP1 (0.47) KDM4ESMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL9684731 0.90 ADRB2 (0.44) KDM4ENPSR1SMN1; SMN2MAPK1MAPT
SCHEMBL9683750 0.89 HTR1A (0.43) SMN1; SMN2MAPTALDH1A1KMT2ALMNA
SCHEMBL9682923 0.88 ALDH1A1 (0.53) KDM4ESMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL9684797 0.87 MAPT (0.40) KDM4ENPSR1SMN1; SMN2MAPTALDH1A1
SCHEMBL9684978 0.85 CYP2D6 (0.52) KDM4ESMN1; SMN2MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed