SCHEMBL5048210

SCHEMBL5048210

COC(=O)CCc1cccc(CN(Cc2ccc3c(c2)CCO3)S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
TAS2R14 Q9NYV8 8/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
LMNA P02545 1/20 0.42
MEP1B Q16820 1/20 0.42

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
SCHEMBL5049388 0.92 TAS2R14 (0.47) ALDH1A1POLBTAS2R14CYP2D6MAPT
SCHEMBL5043143 0.90 KMT2A (0.51) ALDH1A1NPSR1TAS2R14TRPM8KMT2A
SCHEMBL5047945 0.86 TAS2R14 (0.58) ALDH1A1NPSR1POLBTAS2R14KMT2A
SCHEMBL5049449 0.86 L3MBTL1 (0.43) ALDH1A1POLBMAPTCHRM5CHRM1
SCHEMBL5133321 0.82 FABP4 (0.49) ALDH1A1POLBTAS2R14KMT2ACYP2D6
SCHEMBL5042984 0.82 TAS2R14 (0.56) ALDH1A1NPSR1TAS2R14MAPTLMNA
SCHEMBL5043233 0.79 RAB9A (0.49) POLBMAPTCHRM5CHRM1
SCHEMBL5048100 0.78 TAS2R14 (0.64) ALDH1A1NPSR1TAS2R14TRPM8KMT2A
SCHEMBL13399223 0.77 TAS2R14 (0.60) ALDH1A1NPSR1POLBTAS2R14TRPM8
SCHEMBL5043219 0.77 TAS2R14 (0.45) ALDH1A1TAS2R14KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed