SCHEMBL8790882

SCHEMBL8790882

O=C(NCc1ccccc1)C1NCCS1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.55
HPGD P15428 3/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 1/20 0.47
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
CACNA1G O43497 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.43
DPP4 P27487 1/20 0.43

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 SCHEMBL204285 0.78 NPC1 (0.46) HTR2CHTR2B
SCHEMBL9709040 0.77 RAB9A (0.52) MC4RHPGDUSP2ALDH1A1HTT
SCHEMBL23885597 0.74 P2RX7 (0.51)
SCHEMBL7874030 0.72 HTR2C (0.77) MC4RHPGDUSP2ALDH1A1HTR2C
SCHEMBL1789145 0.72 HTR2C (0.77) MC4RHPGDUSP2ALDH1A1HTR2C
SCHEMBL5154669 0.72 HTR2C (0.77) MC4RHPGDUSP2ALDH1A1HTR2C
SCHEMBL10411479 0.71 ALPI (0.49) DPP4
SCHEMBL10411481 0.71 ALPI (0.49) DPP4
SCHEMBL1792830 0.71 MC4R (0.75) MC4RHPGDUSP2ALDH1A1TSHR
SCHEMBL526330 0.71 ALDH1A1 (0.73) MC4RHPGDUSP2ALDH1A1TSHR

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-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO disclosed