SCHEMBL9760547

SCHEMBL9760547

CO[C@H]1CNCC[C@H]1NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
KDM1A O60341 4/20 0.42
MAOA P21397 2/20 0.42
FUCA1 P04066 1/20 0.40
TACR1 P25103 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
GRIN2B Q13224 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
MAOB P27338 1/20 0.39
JAK3 P52333 1/20 0.38
GBA1 P04062 1/20 0.38

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
SCHEMBL9760564 1.00 KDM4E (0.43) KDM4EALDH1A1MAPTKDM1AMAOA
SCHEMBL9760561 1.00 KDM4E (0.43) KDM4EALDH1A1MAPTKDM1AMAOA
Hydrochloric Acid SCHEMBL9721895 0.97 KDM4E (0.41) KDM4EALDH1A1MAPTKDM1AMAOA
Hydrochloric Acid SCHEMBL9721904 0.97 KDM4E (0.41) KDM4EALDH1A1MAPTKDM1AMAOA
Hydrochloric Acid SCHEMBL9721902 0.97 KDM4E (0.41) KDM4EALDH1A1MAPTKDM1AMAOA
SCHEMBL9773718 0.87 KDM1A (0.45) KDM4EALDH1A1MAPTKDM1AMAOA
SCHEMBL6215374 0.87 KDM1A (0.45) KDM4EALDH1A1MAPTKDM1AMAOA
SCHEMBL9773716 0.87 KDM1A (0.45) KDM4EALDH1A1MAPTKDM1AMAOA
SCHEMBL2224361 0.81 FUCA1 (0.50) KDM1AMAOAFUCA1GRIN2BMAOB
SCHEMBL6204106 0.78 KDM1A (0.43) KDM1AMAOAFUCA1GRIN2BMAOB

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-5041454-A Stimulate gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-20 US disclosed
US-4975439-A Gastrointestinal motility stimulating properties JANSSEN PHARMACEUTICAL N.V. (BE) 1990-12-04 US disclosed