SCHEMBL6267690

SCHEMBL6267690

Cc1cn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c(=O)n1CC(=O)NC1CCOCC1.O=C(Cn1ccn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c1=O)NC1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.35
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
CNR2 P34972 4/20 0.33
AVPR1B P47901 2/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
P2RX7 Q99572 1/20 0.32
TSHR P16473 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL5838229 0.94 KMT2A (0.38) P2RX3KMT2AALDH1A1KDM4EPOLB
SCHEMBL5837923 0.92 KMT2A (0.40) P2RX3KMT2ARXFP1ALDH1A1MAPT
SCHEMBL5838879 0.90 P2RX7 (0.36) P2RX3KMT2AALDH1A1KDM4EPOLB
SCHEMBL6277608 0.89 P2RX7 (0.35) CNR2TP53P2RX7CNR1
SCHEMBL6259712 0.88 P2RY12 (0.34) RXFP1ALDH1A1KDM4EPOLBHPGD
SCHEMBL5838235 0.88 P2RX7 (0.36) P2RX3KMT2ARXFP1MAPTCNR2
SCHEMBL6259125 0.86 P2RX7 (0.35) POLBMAPTCNR2TP53P2RX7
SCHEMBL5838492 0.85 ALDH1A1 (0.37) KMT2ARXFP1ALDH1A1KDM4EPOLB
SCHEMBL6267685 0.85 P2RX7 (0.46) P2RX7
SCHEMBL6259544 0.85 P2RX7 (0.32) CNR2P2RX7CNR1

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
EP-1581507-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR Pfizer Products Inc. (US) 2005-10-05 EP disclosed
WO-2004058731-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PRODUCTS INC. (US) 2004-07-15 WO disclosed