SCHEMBL8716877

SCHEMBL8716877

O=C(CNc1ccccc1Cl)NC1CCCc2ccccc2N1C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.45
LMNA P02545 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.38
DRD2 P14416 1/20 0.37
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
HPGD P15428 2/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8717618 0.83 KMT2A (0.41) POLBLMNAALDH1A1MAPTTP53
SCHEMBL8713944 0.82 NPC1 (0.41) POLBLMNAALDH1A1TP53HPGD
SCHEMBL8715144 0.81 CFD (0.39) LMNATP53AVPR1A
SCHEMBL8718456 0.78 ALDH1A1 (0.48) LMNAALDH1A1MAPTL3MBTL1TAOK1
SCHEMBL8715313 0.78 ALDH1A1 (0.47) POLBLMNAALDH1A1MAPTKDM4E
SCHEMBL8716872 0.77 POLB (0.45) POLBLMNATAS1R3TAS1R1ALDH1A1
SCHEMBL8718493 0.75 ALDH1A1 (0.42) LMNAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL8717604 0.74 TP53 (0.36) ALDH1A1MAPTKDM4EL3MBTL1TP53
SCHEMBL8714614 0.74 MEN1 (0.52) POLBLMNAALDH1A1MAPTKDM4E
SCHEMBL8713405 0.72 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EL3MBTL1TP53

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-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed