SCHEMBL7465497

SCHEMBL7465497

O=C(NCC(CCCN1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.59
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
CCR5 P51681 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCR1 P32246 2/20 0.44
HTR7 P34969 3/20 0.43
SLC18A3 Q16572 1/20 0.43
CCR3 P51677 1/20 0.42

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
SCHEMBL7459851 0.91 GLA (0.56) MCHR1ALDH1A1MAPTTSHRLMNA
Hydrochloric Acid SCHEMBL7456232 0.91 GLA (0.55) MCHR1ALDH1A1MAPTTSHRLMNA
SCHEMBL7463755 0.87 MCHR1 (0.57) MCHR1KMT2ADRD2DRD3CCR1
SCHEMBL7462127 0.84 MCHR1 (0.56) MCHR1TSHRKMT2ADRD2DRD3
SCHEMBL7461314 0.82 MCHR1 (0.61) MCHR1DRD2DRD3CCR1HTR7
SCHEMBL7460992 0.82 MCHR1 (0.60) MCHR1TSHRDRD2DRD3CCR1
SCHEMBL7469453 0.81 MCHR1 (0.59) MCHR1CCR1HTR7CCR3
SCHEMBL7464540 0.81 MCHR1 (0.59) MCHR1DRD2CCR1HTR7CCR3
SCHEMBL7470937 0.80 MCHR1 (0.58) MCHR1DRD2HTR7
SCHEMBL7461973 0.80 MCHR1 (0.58) MCHR1DRD2CCR1CCR3

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