SCHEMBL29617629

SCHEMBL29617629

COC(=O)C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)CN(Cc2cccc(OC)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.46
CACNA1G O43497 1/20 0.43
SRPK1 Q96SB4 1/20 0.43
FAAH O00519 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ELOVL6 Q9H5J4 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM5 P08912 1/20 0.40

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
SCHEMBL30646811 1.00 CCR2 (0.46) CCR2CACNA1GSRPK1FAAHMEN1
SCHEMBL30646808 0.92 CCR2 (0.45) CCR2CACNA1GSRPK1FAAHMEN1
SCHEMBL29617609 0.92 ALDH1A1 (0.47) CACNA1GFAAHKDM4EALDH1A1DRD4
SCHEMBL29617601 0.91 CHRM4 (0.45) CCR2CACNA1GMEN1KMT2AELOVL6
SCHEMBL29087705 0.91 CHRM4 (0.45) CCR2CACNA1GMEN1KMT2AELOVL6
SCHEMBL29617605 0.91 CYP3A4 (0.41) CACNA1GMEN1KMT2AKDM4EALDH1A1
SCHEMBL29617624 0.89 PRKAA2 (0.48) CCR2CACNA1GMEN1KMT2AELOVL6
SCHEMBL29087709 0.89 PRKAA2 (0.48) CCR2CACNA1GMEN1KMT2AELOVL6
SCHEMBL29617620 0.87 KDM4E (0.43) FAAHKDM4EALDH1A1MAPTCHRM2
SCHEMBL29087755 0.87 KDM4E (0.43) FAAHKDM4EALDH1A1MAPTCHRM2

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-4247374-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS Telo Therapeutics, Inc. (US) 2023-09-27 EP disclosed
WO-2022109209-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS TELO THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed