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SCHEMBL4683606

SCHEMBL4683606

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(OC4CCN(C(C)C)CC4)cc3)cc2COC)cc1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4C)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.42
▸ SLC5A7 Q9GZV3 3/20 0.38
▸ CSF1R P07333 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PKM P14618 1/20 0.34

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
SCHEMBL4242223 0.94 MEN1 (0.37) HRH3PGRARMCHR1PKM
SCHEMBL4236550 0.93 MCHR1 (0.40) HRH3MCHR1PKM
SCHEMBL4232082 0.91 HRH3 (0.45) HRH3SLC5A7CSF1RFLT3
SCHEMBL4233740 0.91 MCHR1 (0.39) HRH3PGRARMCHR1PKM
SCHEMBL4233481 0.91 HRH3 (0.47) HRH3SLC5A7CSF1RFLT3PKM
SCHEMBL4238765 0.91 HRH3 (0.47) HRH3SLC5A7CSF1RFLT3PKM
SCHEMBL4236318 0.91 MCHR1 (0.39) HRH3PGRARMCHR1PKM
SCHEMBL4743227 0.90 HRH3 (0.40) HRH3SLC5A7PGRARMCHR1
SCHEMBL4690069 0.89 SMN1; SMN2 (0.41) HRH3SLC5A7PGRARMCHR1
SCHEMBL4237153 0.89 HRH3 (0.48) HRH3CSF1RFLT3PKM

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