SCHEMBL8713384

SCHEMBL8713384

O=C(Nc1ccc(C(=O)N2c3ccccc3C(NC3CC3)CCC2Cl)cc1)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
SMO Q99835 1/20 0.44
AVPR1A P37288 6/20 0.44
AVPR1B P47901 1/20 0.44
AVPR2 P30518 5/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8713038 0.91 HSD11B1 (0.49) HSD11B1AVPR1AAVPR2MAPTRAB9A
SCHEMBL8713623 0.90 AVPR2 (0.54) AVPR1AAVPR1BAVPR2
SCHEMBL8713819 0.90 HSD11B1 (0.49) HSD11B1SMOAVPR1AAVPR1BAVPR2
SCHEMBL8713915 0.86 AVPR2 (0.54) AVPR1AAVPR1BAVPR2
SCHEMBL8717630 0.83 AVPR1A (0.57) HSD11B1SMOAVPR1AAVPR1BAVPR2
SCHEMBL8716136 0.80 AVPR1A (0.47) HSD11B1AVPR1AAVPR1BAVPR2
SCHEMBL8713805 0.80 AVPR2 (0.55) AVPR1AAVPR1BAVPR2
Hydrochloric Acid SCHEMBL8719775 0.79 HSD11B1 (0.46) HSD11B1SMOAVPR1AAVPR1BAVPR2
SCHEMBL8713499 0.77 AVPR2 (0.43) AVPR1AAVPR1BAVPR2
SCHEMBL8712329 0.76 AVPR2 (0.68) AVPR1AAVPR1BAVPR2

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