SCHEMBL7464873

SCHEMBL7464873

NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.O=CNCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.56
KCNA3 P22001 1/20 0.48
SIGMAR1 Q99720 4/20 0.45
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR1 P32246 1/20 0.43
CCR3 P51677 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
DRD2 P14416 2/20 0.42
SLC18A3 Q16572 1/20 0.42
HTR7 P34969 5/20 0.42
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL7463216 0.96 MCHR1 (0.60) MCHR1KCNA3SIGMAR1MEN1TP53
Hydrochloric Acid SCHEMBL7469999 0.95 MCHR1 (0.59) MCHR1KCNA3SIGMAR1MEN1TP53
SCHEMBL7462064 0.90 MCHR1 (0.54) MCHR1KCNA3SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL7458878 0.89 MCHR1 (0.54) MCHR1KCNA3SIGMAR1MEN1KMT2A
SCHEMBL7464640 0.88 MCHR1 (0.53) MCHR1KCNA3MEN1KMT2ACCR1
SCHEMBL7461929 0.88 SIGMAR1 (0.57) MCHR1KCNA3SIGMAR1MEN1TP53
Hydrochloric Acid SCHEMBL7465064 0.88 MCHR1 (0.52) MCHR1KCNA3MEN1KMT2ACCR1
SCHEMBL7466786 0.87 MCHR1 (0.54) MCHR1KCNA3SIGMAR1CCR1CCR3
Hydrochloric Acid SCHEMBL7464242 0.86 MCHR1 (0.54) MCHR1KCNA3SIGMAR1CCR1CCR3
SCHEMBL7526133 0.81 KCNA3 (0.72) KCNA3CCR1CCR3

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
EP-1219294-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed