SCHEMBL4745650

SCHEMBL4745650

CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OCC)cc3)cc2)C(F)C1.CCOc1cc(NC(=O)NC(CC)CC)ccc1Oc1ccc(NC(=O)c2ccc(OC3CCN(N(C)C)CC3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.37
MAPT P10636 4/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MCHR1 Q99705 2/20 0.33
KMT2A Q03164 3/20 0.33
FAAH O00519 2/20 0.33
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.33
SSTR5 P35346 1/20 0.33
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL4686192 0.93 CCR3 (0.41) CCR3MAPTHSD17B10HPGDTSHR
SCHEMBL4233712 0.93 MAPT (0.38) CCR3MAPTHSD17B10HPGDTSHR
SCHEMBL4237517 0.88 CCR3 (0.45) CCR3MAPTHSD17B10HPGDTSHR
SCHEMBL4234129 0.88 MCHR1 (0.42) CCR3MAPTHSD17B10HPGDTSHR
SCHEMBL4229363 0.88 PKM (0.39) MAPTHSD17B10TSHRMCHR1KMT2A
SCHEMBL4236062 0.82 MCHR1 (0.47) MAPTMCHR1KMT2AMEN1EGFR
SCHEMBL4233894 0.82 MCHR1 (0.47) MAPTMCHR1KMT2AMEN1EGFR
SCHEMBL4242394 0.82 TAS1R3 (0.43) MAPTHSD17B10TSHRMCHR1KMT2A
SCHEMBL4229610 0.81 CCR3 (0.41) CCR3MCHR1SSTR5KDRSMN1; SMN2
SCHEMBL4229397 0.81 MCHR1 (0.44) MAPTMCHR1KMT2AMEN1EGFR

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP claimed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO claimed