SCHEMBL5774124

SCHEMBL5774124

CN(C)CC1CCc2cc(NC(=O)c3ccccc3Br)ccc2C1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.68
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
F2R P25116 1/20 0.46

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
SCHEMBL14454874 0.86 MCHR1 (0.75) MCHR1
Hydrochloric Acid SCHEMBL5583000 0.85 MCHR1 (0.74) MCHR1
SCHEMBL5582570 0.84 MCHR1 (0.66) MCHR1
SCHEMBL5582674 0.83 MCHR1 (0.70) MCHR1NPC1RAB9AALDH1A1
SCHEMBL14454778 0.83 MCHR1 (0.88) MCHR1NPC1RAB9A
SCHEMBL5582793 0.83 MCHR1 (0.88) MCHR1NPC1RAB9A
SCHEMBL5582553 0.83 MCHR1 (0.77) MCHR1
SCHEMBL5582619 0.83 MCHR1 (0.64) MCHR1
SCHEMBL5582968 0.82 MCHR1 (0.77) MCHR1
SCHEMBL5582538 0.82 MCHR1 (0.72) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed