SCHEMBL7465626

SCHEMBL7465626

c1ccc(CNCCCC(CCCN2CCC(c3ccccc3)CC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
MCHR1 Q99705 1/20 0.54
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
KCNA3 P22001 1/20 0.48
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
DPP7 Q9UHL4 1/20 0.45
SLC18A3 Q16572 1/20 0.45
DRD2 P14416 1/20 0.45
CCR2 P41597 1/20 0.45

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
Hydrochloric Acid SCHEMBL7466563 0.99 SIGMAR1 (0.53) SIGMAR1MCHR1MEN1TP53CYP1A2
SCHEMBL7468176 0.87 MCHR1 (0.48) SIGMAR1MCHR1DRD2
Hydrochloric Acid SCHEMBL7463940 0.87 MCHR1 (0.47) SIGMAR1MCHR1DRD2
SCHEMBL7462387 0.86 MCHR1 (0.46) SIGMAR1MCHR1MEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL7461139 0.85 MCHR1 (0.45) SIGMAR1MCHR1MEN1TP53CYP1A2
SCHEMBL7468859 0.85 CYP2C19 (0.54) SIGMAR1MCHR1MEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL7467161 0.84 CYP2C19 (0.55) SIGMAR1MCHR1MEN1TP53CYP1A2
SCHEMBL7466062 0.84 CHRM2 (0.61) MCHR1MEN1TP53CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7460883 0.83 CHRM2 (0.60) MCHR1MEN1TP53CYP3A4CYP2D6
SCHEMBL7466510 0.82 MCHR1 (0.61) SIGMAR1MCHR1MEN1TP53CYP1A2

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