SCHEMBL18399535

SCHEMBL18399535

CC(C)CCc1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.63
SLC6A4 P31645 2/20 0.61
HTR2A P28223 7/20 0.52
TRPM8 Q7Z2W7 1/20 0.49
ADRB3 P13945 1/20 0.47
MDM4 O15151 1/20 0.44
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HTR2C P28335 2/20 0.42
NR4A2 P43354 1/20 0.42
HTR2B P41595 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL14021910 0.88 HTR2A (0.65) GPR84SLC6A4HTR2ATRPM8TP53
SCHEMBL3182374 0.84 GPR84 (0.67) GPR84SLC6A4HTR2AADRB3HTR2C
SCHEMBL27480459 0.83 HTR2A (0.67) SLC6A4HTR2AADRB3MTNR1AMTNR1B
SCHEMBL3181757 0.82 GPR84 (0.69) GPR84SLC6A4HTR2ATRPM8ADRB3
SCHEMBL25139565 0.80 GPR84 (0.56) GPR84SLC6A4HTR2ATRPM8ADRB3
SCHEMBL23029721 0.79 HTR2A (0.69) GPR84SLC6A4HTR2ATRPM8MTNR1A
SCHEMBL23649381 0.79 HTR2A (0.74) GPR84SLC6A4HTR2ATRPM8MTNR1A
SCHEMBL24452687 0.79 GPR84 (0.69) GPR84SLC6A4HTR2ATRPM8ADRB3
SCHEMBL7716375 0.79 GPR84 (0.69) GPR84SLC6A4HTR2ATRPM8MTNR1A
SCHEMBL1971111 0.79 HTR2A (0.76) GPR84SLC6A4HTR2ATRPM8HTR2C

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
US-9551721-B2 Identification of small molecules recognized by antibodies in subjects with neurodegenerative diseases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-24 US disclosed
US-9551721-B2 Identification of small molecules recognized by antibodies in subjects with neurodegenerative diseases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-24 US disclosed