SCHEMBL9684797

SCHEMBL9684797

CC(CC1OCCc2ccccc21)NCC(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPM8 Q7Z2W7 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL9683750 0.89 HTR1A (0.43) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9684696 0.88 ALDH1A1 (0.44) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9683619 0.88 ALDH1A1 (0.44) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9683704 0.88 ALDH1A1 (0.44) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9684731 0.88 ADRB2 (0.44) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9683608 0.88 XBP1 (0.47) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9684785 0.88 ADRB2 (0.44) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9683778 0.87 KDM4E (0.45) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9682923 0.85 ALDH1A1 (0.53) MAPTALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9684978 0.83 CYP2D6 (0.52) MAPTALDH1A1CYP1A2CYP2D6CYP2C19

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