SCHEMBL7735744

SCHEMBL7735744

O=C(O)C1CCN(Nc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
NOTUM Q6P988 3/20 0.49
ATM Q13315 1/20 0.48
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
YAP1 P46937 1/20 0.43
TEAD4 Q15561 1/20 0.43
APAF1 O14727 1/20 0.43
NSD2 O96028 1/20 0.43
THRB P10828 1/20 0.43
CASP3 P42574 1/20 0.43
RECQL P46063 1/20 0.43
GALK1 P51570 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3259257 0.85 HPGD (0.63) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL29931971 0.79 HTT (0.59) ATMPOLBSMN1; SMN2CYP2C19MAPT
SCHEMBL308530 0.78 L3MBTL1 (0.47) L3MBTL1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL31053522 0.77 TDP1 (0.38) L3MBTL1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL7313251 0.76 KDM4E (0.77) RAB9AKDM4EPOLBNPC1SMN1; SMN2
SCHEMBL4055295 0.76 ALDH1A1 (0.43) L3MBTL1SMN1; SMN2CYP2C19MAPTALDH1A1
SCHEMBL29932078 0.76 KMT2A (0.46) KDM4EPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL30885149 0.76 ACHE (0.47) L3MBTL1RAB9ANPC1ALDH1A1KMT2A
Diphenylamine SCHEMBL28610391 0.75 MAPT (0.67) L3MBTL1RAB9AKDM4EPOLBNPC1
SCHEMBL7312797 0.73 CYP1A2 (0.67) L3MBTL1KDM4ECYP2C19MAPTALDH1A1

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-6410792-B1 OBESITY DISEASES BAYER CORPORATION 2002-06-25 US disclosed
US-6048900-A FOR TREATING EATING DISORDERS, INSULIN RESISTANT DIABETES, HYPERTENSION, HYPERLIPEMIA BAYER CORPORATION (US) 2000-04-11 US disclosed