SCHEMBL7445054

SCHEMBL7445054

Cc1cc(OCCO)ccc1NC(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.49
KIT P10721 2/20 0.48
F10 P00742 3/20 0.47
MAPT P10636 6/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
HIF1A Q16665 1/20 0.45
KMT2A Q03164 3/20 0.44
ALOX15 P16050 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
MRGPRX1 Q96LB2 2/20 0.43
HTR2C P28335 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 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 SCHEMBL7437697 0.99 MCHR1 (0.48) MCHR1KITF10MAPTHSD17B10
SCHEMBL7342830 0.91 KIT (0.47) MCHR1KITF10MAPTHSD17B10
SCHEMBL7347893 0.90 KIT (0.47) MCHR1KITF10MAPTHSD17B10
SCHEMBL7351038 0.89 MCHR1 (0.52) MCHR1KITF10MAPTHSD17B10
SCHEMBL8321062 0.88 KIT (0.48) MCHR1KITF10MAPTHSD17B10
SCHEMBL24670708 0.83 MEN1 (0.55) F10MAPTHSD17B10TSHRALDH1A1
SCHEMBL28460754 0.83 MCHR1 (0.61) MCHR1F10MAPTHPGDALDH1A1
SCHEMBL7445049 0.83 MAPT (0.62) MAPTHSD17B10HPGDTSHRTAAR1
Trifluoroacetic Acid SCHEMBL29803818 0.77 SLC2A1 (0.52) MAPTHSD17B10TSHRALDH1A1SMN1; SMN2
SCHEMBL8474566 0.76 MCHR1 (0.41) MCHR1MAPTALDH1A1SMN1; SMN2KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912182-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 1999-12-29 EP claimed
US-5990107-A ADMINISTERING TO INHIBIT THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS IN A MAMMAL; OR TO INHIBIT OSTEOCLAST MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1999-11-23 US claimed
EP-0912182-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 EP claimed
WO-1998000144-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 WO claimed
EP-0912182-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 1999-12-29 EP disclosed
US-5990107-A ADMINISTERING TO INHIBIT THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS IN A MAMMAL; OR TO INHIBIT OSTEOCLAST MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1999-11-23 US disclosed
EP-0912182-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998000144-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 WO disclosed