SCHEMBL7679296

SCHEMBL7679296

CCc1ccc(Br)c(C(=O)OC)c1NC(=O)c1ccc(C)nc1C(=O)NCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.38
CNR2 P34972 8/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 2/20 0.36
DRD2 P14416 2/20 0.35
KCNH2 Q12809 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 2/20 0.34
PTGER4 P35408 1/20 0.33

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
SCHEMBL7675254 0.91 POLB (0.39) CNR1CNR2POLBCYP2C9CYP3A4
SCHEMBL7677391 0.89 CNR1 (0.38) CNR1CNR2CYP2C9CYP3A4DRD2
SCHEMBL7675233 0.87 ALDH1A1 (0.34) POLBMEN1KMT2A
SCHEMBL7678756 0.85 HTT (0.38) POLB
SCHEMBL7679448 0.84 SMN1; SMN2 (0.33) CNR2MEN1KMT2A
SCHEMBL7679315 0.84 ALDH1A1 (0.35) MEN1KMT2A
SCHEMBL7679461 0.83 CNR1 (0.39) CNR1CNR2MEN1KMT2APTGER4
SCHEMBL7684669 0.81 MAPT (0.34) POLBMEN1KMT2A
SCHEMBL7675273 0.81 P2RX7 (0.39) CNR1CNR2MEN1KMT2ARORC
SCHEMBL678914 0.80 P2RX7 (0.38) CNR1CNR2MEN1KMT2ARORC

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-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US claimed