SCHEMBL7453296

SCHEMBL7453296

Cc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCC(=O)NCCCl)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.42
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
TP53 P04637 3/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL7463020 0.95 RXFP1 (0.39) RXFP1MAPTTSHRSMN1; SMN2CNR1
SCHEMBL7461461 0.86 RXRA (0.43) TSHR
SCHEMBL6606347 0.82 RXRA (0.47) POLBMAPTTSHRSMN1; SMN2TP53
SCHEMBL963990 0.82 SIRT2 (0.40) SMN1; SMN2CNR1CYP3A4CYP2D6KCNH2
SCHEMBL6603683 0.81 ALDH1A1 (0.39) MAPTHSD17B10MEN1LMNAKMT2A
SCHEMBL7462674 0.81 NR4A2 (0.37) MAPTTSHRSMN1; SMN2TP53CYP3A4
SCHEMBL965656 0.81 SIRT2 (0.37) SMN1; SMN2CNR1CYP3A4CYP2D6KCNH2
SCHEMBL5213628 0.80 HDAC1 (0.43) RXFP1POLBMAPTSMN1; SMN2CNR1
SCHEMBL7462143 0.80 FAAH (0.39) POLBMAPTTSHRSMN1; SMN2HSD17B10
SCHEMBL964061 0.80 SIRT2 (0.36) CNR1HDAC1HDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498179-B1 SUCH AS 4-(4-CHLOROPHENYL)-5-(3-(2-METHOXYPHENOXY)PROPYL)-2-(2-METHYL-1 -IMIDAZOLYL)OXAZOLE; INSULIN SECERTION PROMOTING AND BLOOD SUGAR DEPRESSING EFFECT; DIABETES; LOW TOXICITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-24 US disclosed
EP-0891340-B1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
US-6177452-B1 ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-23 US disclosed