SCHEMBL7469965

SCHEMBL7469965

O=C(NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)o1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.59
ALDH1A1 P00352 1/20 0.43
CCR3 P51677 3/20 0.43
CCR1 P32246 3/20 0.43
USP5 P45974 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
HTR7 P34969 3/20 0.41
SRPK1 Q96SB4 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 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
SCHEMBL7463353 0.88 MCHR1 (0.59) MCHR1ALDH1A1CCR3CCR1USP5
SCHEMBL7461314 0.84 MCHR1 (0.61) MCHR1CCR3CCR1SIGMAR1HTR7
SCHEMBL7459261 0.82 MCHR1 (0.66) MCHR1ALDH1A1CCR3CCR1SIGMAR1
SCHEMBL7470937 0.81 MCHR1 (0.58) MCHR1USP5SIGMAR1HTR7
SCHEMBL7462127 0.80 MCHR1 (0.56) MCHR1CCR3CCR1USP5SIGMAR1
SCHEMBL7460992 0.79 MCHR1 (0.60) MCHR1CCR3CCR1USP5SIGMAR1
SCHEMBL7469523 0.79 MCHR1 (0.67) MCHR1CCR3CCR1SIGMAR1MEN1
Hydrochloric Acid SCHEMBL7466687 0.79 MCHR1 (0.59) MCHR1SIGMAR1HTR7
SCHEMBL7469453 0.79 MCHR1 (0.59) MCHR1CCR3CCR1SIGMAR1HTR7
SCHEMBL7464540 0.79 MCHR1 (0.59) MCHR1CCR3CCR1SIGMAR1HTR7

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