SCHEMBL7758334

SCHEMBL7758334

CC(C)C(=O)OCc1ccc(OCc2ccccc2)c(CCCc2ccccc2N(C(C)C)C(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.51
PTGER4 P35408 3/20 0.51
PTGER3 P43115 3/20 0.51
PTGER2 P43116 3/20 0.51
MTNR1A P48039 6/20 0.44
MTNR1B P49286 4/20 0.44
CFD P00746 1/20 0.41
F11 P03951 1/20 0.41
TPSB2 P20231 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
FFAR1 O14842 1/20 0.41
MGLL Q99685 1/20 0.40
APP P05067 1/20 0.39

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
SCHEMBL7758338 0.87 PTGER1 (0.46) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL725913 0.85 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2MTNR1A
Hydrochloric Acid SCHEMBL725095 0.84 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL3772823 0.82 CHRM2 (0.41) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL6238281 0.82 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL7755557 0.81 KMT2A (0.42) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL7755600 0.78 ALOX15 (0.42) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL7758290 0.78 ELANE (0.42) PTGER1PTGER4PTGER3PTGER2CFD
SCHEMBL7755007 0.75 ADRB2 (0.41) PTGER1PTGER4PTGER3PTGER2MTNR1A
SCHEMBL722894 0.74 PTGER1 (0.44) PTGER1PTGER4PTGER3PTGER2MTNR1A

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-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 WO disclosed