SCHEMBL8477486

SCHEMBL8477486

Nc1ccc(O)cc1C(=O)NCC1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TPSAB1 Q15661 3/20 0.41
NPC1 O15118 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 2/20 0.40

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
SCHEMBL8481255 0.88 POLB (0.49) HTR4DRD2DRD4DRD3
SCHEMBL8473775 0.88 MEN1 (0.47) HTR4MEN1KMT2AATMTPSAB1
SCHEMBL8472966 0.88 GSK3B (0.46) HTR4MEN1KMT2AATMTPSAB1
SCHEMBL8474226 0.87 ALDH1A1 (0.50) HTR4ALDH1A1CCR2
SCHEMBL8477912 0.86 IP6K1 (0.48) MEN1KMT2AATMTPSAB1NPC1
SCHEMBL8473551 0.86 DRD2 (0.43) MEN1KMT2AATMTPSAB1DRD2
SCHEMBL8475037 0.86 OPRL1 (0.40) HTR4MEN1KMT2AATMTPSAB1
SCHEMBL8477606 0.85 IP6K1 (0.47) MEN1KMT2AATMTPSAB1NPC1
SCHEMBL8476749 0.84 SCN7A (0.41) HTR4MEN1KMT2AATMDRD2
SCHEMBL8474864 0.84 NPY2R (0.43) HTR4MEN1KMT2ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872115-A COMPOUNDS FOR TREATMENT OF HYPERCHOLESTEROLEMIA, ISCHEMIC HEART DISEASE, CEREBROVASCULAR DISEASE OR ATHEROSCLEROSIS GRELAN PHARMACEUTICAL CO. LTD. (JP) 1999-02-16 US disclosed