SCHEMBL5427985

SCHEMBL5427985

CC(C)(C)OC(=O)/C=C/c1cc2ccc(F)cc2n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.43
CD74 P04233 1/20 0.40
MIF P14174 1/20 0.40
GNRHR P30968 1/20 0.38
BRD4 O60885 2/20 0.38
CCR9 P51686 6/20 0.38
TBXA2R P21731 4/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
GPR35 Q9HC97 1/20 0.36
MAPT P10636 1/20 0.35
HK1 P19367 1/20 0.35
HTT P42858 1/20 0.35
HKDC1 Q2TB90 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
SCHEMBL5427991 1.00 CCR2 (0.43) CCR2CD74MIFGNRHRBRD4
SCHEMBL5363418 0.89 CCR2 (0.49) CCR2BRD4MAPTHTT
SCHEMBL5359096 0.89 CCR2 (0.49) CCR2BRD4MAPTHTT
SCHEMBL5369798 0.86 SRD5A2 (0.43) CCR9MTNR1AMTNR1B
SCHEMBL5350992 0.86 MAPT (0.43) MTNR1AMTNR1BMAPT
SCHEMBL5372569 0.86 SRD5A2 (0.43) CCR9MTNR1AMTNR1B
SCHEMBL5350983 0.86 MAPT (0.43) MTNR1AMTNR1BMAPT
SCHEMBL5358104 0.82 FDPS (0.40) CCR2BRD4MAPT
SCHEMBL5358101 0.82 FDPS (0.40) CCR2BRD4MAPT
SCHEMBL5362181 0.79 MEN1 (0.42) CCR2BRD4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO disclosed