Sugi Predict

Sugi Predict / Compounds / SCHEMBL4888299

SCHEMBL4888299

SCHEMBL4888299

CCCCN1CCC(Oc2ccc(C(=O)N3CCc4cc(Oc5ccc(NC(=O)NC(CC)CC)cc5OC)ccc43)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4)cc3)cc2)CC1.CCCCN1CCC(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)NC(CC)CC)cc4OC)cc3)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 6/20 0.37
▸ MCHR2 Q969V1 1/20 0.36
▸ FGFR1 P11362 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CCR3 P51677 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ AVPR1A P37288 1/20 0.33

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
SCHEMBL4237062 0.90 SMN1; SMN2 (0.42) MCHR1FGFR1MAPTLMNASMN1; SMN2
SCHEMBL4234061 0.88 SMN1; SMN2 (0.44) MCHR1MCHR2MAPTSMN1; SMN2NPSR1
SCHEMBL4886073 0.86 MEN1 (0.35) MCHR1FGFR1MAPTLMNASMN1; SMN2
SCHEMBL4236062 0.85 MCHR1 (0.47) MCHR1MCHR2FGFR1MAPTSMN1; SMN2
SCHEMBL4233894 0.85 MCHR1 (0.47) MCHR1MCHR2FGFR1MAPTSMN1; SMN2
SCHEMBL4233951 0.84 SMN1; SMN2 (0.40) MCHR1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL4242226 0.84 SMN1; SMN2 (0.43) MCHR1FGFR1MAPTSMN1; SMN2NPSR1
SCHEMBL4237719 0.82 SMN1; SMN2 (0.44) MCHR1MCHR2MAPTSMN1; SMN2NPSR1
SCHEMBL4683904 0.82 MCHR1 (0.36) MCHR1MCHR2FGFR1SMN1; SMN2NPSR1
SCHEMBL4227215 0.82 SMN1; SMN2 (0.44) MCHR1MCHR2MAPTLMNASMN1; SMN2

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