SCHEMBL9979321

SCHEMBL9979321

CC/C(=C\n1c(-c2ccc(Cl)cc2)nn(CC(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)c1=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.49
AVPR1A P37288 9/20 0.49
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX3 P56373 1/20 0.35

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
SCHEMBL4491301 0.87 AVPR2 (0.53) AVPR2AVPR1AMAPTTP53LMNA
SCHEMBL4505459 0.86 AVPR2 (0.51) AVPR2AVPR1AMAPTTP53LMNA
SCHEMBL6127314 0.86 AVPR2 (0.51) AVPR2AVPR1AMAPTTP53LMNA
SCHEMBL8237640 0.83 AVPR2 (0.49) AVPR2AVPR1AMAPTTP53LMNA
SCHEMBL8232549 0.83 AVPR2 (0.49) AVPR2AVPR1AMAPTTP53LMNA
SCHEMBL8233213 0.83 AVPR2 (0.60) AVPR2AVPR1AMAPTTP53
SCHEMBL9978877 0.83 AVPR2 (0.50) AVPR2AVPR1AMAPTTP53LMNA
SCHEMBL4489066 0.83 AVPR2 (0.52) AVPR2AVPR1AMAPTTP53LMNA
SCHEMBL3986255 0.83 AVPR2 (0.58) AVPR2AVPR1AMAPTTP53
SCHEMBL3979687 0.82 AVPR2 (0.60) AVPR2AVPR1AMAPTTP53P2RX3

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-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed