SCHEMBL7518980

SCHEMBL7518980

CCC(C(=O)c1ccccc1)N1CC[CH]CC1c1cccc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRND Q07001 1/20 0.39
NR3C2 P08235 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CCR5 P51681 1/20 0.38
MCHR1 Q99705 2/20 0.38

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
SCHEMBL8542566 0.66 ROCK2 (0.62) TSHRKDM4EALDH1A1LMNAABCB1
SCHEMBL27320122 0.65 RAB9A (0.45) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11628462 0.64 HSD17B10 (0.50) SLC6A2SLC6A3ALDH1A1LMNAMAPT
SCHEMBL7201896 0.63 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL8431652 0.63 SLC6A3 (0.53) SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL13624040 0.63 GRIN2B (0.48) MEN1KMT2AGRIN2BHSD11B1ALOX15
Water SCHEMBL27893543 0.62 CES2 (0.71) KDM4EABCG2MEN1KMT2A
SCHEMBL29589129 0.62 CES2 (0.61) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4939421 0.62 SLC6A3 (0.77) SLC6A2SLC6A3
SCHEMBL7200383 0.62 DRD2 (0.66) NR3C2CCR5DRD2

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-1246847-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2002-10-09 EP disclosed
WO-2002002744-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-01-10 WO disclosed