SCHEMBL8675689

SCHEMBL8675689

COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)C(=CC(=O)O)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.55
AVPR2 P30518 5/20 0.55
OXTR P30559 1/20 0.51
AVPR1B P47901 1/20 0.51
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 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
SCHEMBL9028620 1.00 AVPR1A (0.55) AVPR1AAVPR2OXTRAVPR1BGAA
SCHEMBL8676668 0.92 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1BMAPT
SCHEMBL9028217 0.92 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1BMAPT
SCHEMBL9028294 0.90 AVPR1A (0.58) AVPR1AAVPR2OXTRAVPR1BGAA
SCHEMBL8672321 0.90 AVPR1A (0.58) AVPR1AAVPR2OXTRAVPR1BGAA
SCHEMBL9028504 0.87 AVPR2 (0.54) AVPR1AAVPR2OXTRAVPR1BMAPT
SCHEMBL8671336 0.87 AVPR2 (0.54) AVPR1AAVPR2OXTRAVPR1BMAPT
SCHEMBL9028609 0.86 AVPR1A (0.51) AVPR1AAVPR2OXTRAVPR1BGAA
SCHEMBL9027824 0.85 AVPR1A (0.59) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8673860 0.85 AVPR1A (0.59) AVPR1AAVPR2OXTRAVPR1B

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-5710150-A ARGININE VASOPRESSIN ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed