SCHEMBL6602522

SCHEMBL6602522

CCCN(CCC)CCOc1cc(NC(=O)c2cnc(-c3ccc(Cl)cc3)s2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.48
WNT3A P56704 1/20 0.42
MAPT P10636 4/20 0.42
PTPN11 Q06124 1/20 0.42
SCD O00767 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTR2C P28335 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL6603163 0.94 MCHR1 (0.55) MCHR1WNT3AMAPTPTPN11SCD
SCHEMBL6602519 0.88 MCHR1 (0.56) MCHR1WNT3AMAPTHTR2C
SCHEMBL6602555 0.85 MAPT (0.52) MCHR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6609574 0.78 MCHR1 (0.63) MCHR1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL6604498 0.78 MCHR1 (0.55) MCHR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6605102 0.78 MCHR1 (0.58) MCHR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6605524 0.78 KMT2A (0.68) MCHR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6604593 0.78 MCHR1 (0.57) MCHR1WNT3AMAPTSMN1; SMN2KDM4E
SCHEMBL6892155 0.78 MCHR1 (0.55) MCHR1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL6607034 0.77 MAPT (0.50) MCHR1MAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP claimed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP claimed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO claimed
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed