SCHEMBL2182

SCHEMBL2182

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4N(C)CCCc4c(F)cccc4Cl)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
ABCB4 P21439 1/20 0.35
LPAR1 Q92633 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
SCHEMBL2605 0.91 CYP2C9 (0.41) SCN9ALMNAP2RX7MAPTL3MBTL1
SCHEMBL1559 0.89 RAB9A (0.39) ALDH1A1OPRM1ABCC3ABCC4ABCB11
SCHEMBL7632 0.88 KMT2A (0.38) SCN9AKMT2ATDP1TSHRP2RX7
SCHEMBL7294 0.85 P2RX7 (0.36) SCN9AKMT2ALMNAP2RX7MAPT
SCHEMBL2284 0.85 NPSR1 (0.43) KMT2ATDP1TSHRLMNANPSR1
SCHEMBL1568 0.85 KCNA3 (0.39) TDP1TSHRLMNANPSR1ALDH1A1
SCHEMBL1323 0.84 OPRM1 (0.44) KMT2ALMNANPSR1ALDH1A1MAPT
SCHEMBL1934 0.84 KCNA3 (0.48) KMT2AALDH1A1OPRM1ABCC3ABCC4
SCHEMBL6605 0.82 ABCC3 (0.38) OPRM1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1859 0.81 KCNA3 (0.37) KMT2ATDP1TSHRLMNANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed