SCHEMBL7467273

SCHEMBL7467273

O=C(CCCCCc1ccccc1)NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.68
SIGMAR1 Q99720 3/20 0.57
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
GLS O94925 1/20 0.49
HTR7 P34969 4/20 0.48
S1PR1 P21453 1/20 0.47
CCR1 P32246 1/20 0.46
CCR3 P51677 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
SCHEMBL7465663 0.90 MCHR1 (0.75) MCHR1SIGMAR1MEN1TP53CYP1A2
SCHEMBL7470308 0.89 MCHR1 (0.70) MCHR1SIGMAR1MEN1TP53CYP1A2
SCHEMBL7467049 0.87 MCHR1 (0.73) MCHR1SIGMAR1MEN1TP53CYP1A2
SCHEMBL7459157 0.86 MCHR1 (0.67) MCHR1SIGMAR1MEN1TP53CYP1A2
SCHEMBL7461152 0.86 MCHR1 (0.64) MCHR1SIGMAR1KMT2AHTR7
SCHEMBL7467035 0.84 MCHR1 (0.62) MCHR1SIGMAR1HTR7
SCHEMBL7460592 0.84 MCHR1 (0.62) MCHR1SIGMAR1HTR7CCR1CCR3
SCHEMBL7462251 0.84 MCHR1 (0.82) MCHR1SIGMAR1MEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL7460174 0.84 MCHR1 (0.59) MCHR1SIGMAR1MEN1TP53CYP1A2
SCHEMBL7465506 0.83 MCHR1 (0.84) MCHR1SIGMAR1MEN1TP53CYP1A2

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