SCHEMBL8773302

SCHEMBL8773302

O=C(CNC(=O)[C@@H]1CCCN1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.63
HTR2B P41595 3/20 0.63
CTSC P53634 1/20 0.50
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TERT O14746 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 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
SCHEMBL8134913 1.00 HTR2C (0.63) HTR2CHTR2BCTSCHTTKDM4E
SCHEMBL8134909 1.00 HTR2C (0.63) HTR2CHTR2BCTSCHTTKDM4E
Trifluoroacetic Acid SCHEMBL10518928 0.94 HTR2C (0.57) HTR2CHTR2BCTSCHTTKDM4E
Trifluoroacetic Acid SCHEMBL8773300 0.94 HTR2C (0.57) HTR2CHTR2BCTSCHTTKDM4E
SCHEMBL31549533 0.88 HTR2C (0.60) HTR2CHTR2BCTSCHTTKDM4E
SCHEMBL18875522 0.84 HTR2C (0.56) HTR2CHTR2BCTSCKDM4EMEN1
Hydrochloric Acid SCHEMBL6653324 0.83 HTR2C (0.55) HTR2CHTR2BCTSCKDM4EMEN1
Hydrochloric Acid SCHEMBL17335887 0.83 HTR2C (0.55) HTR2CHTR2BCTSCKDM4EMEN1
Hydrochloric Acid SCHEMBL18863405 0.83 HTR2C (0.55) HTR2CHTR2BCTSCKDM4EMEN1
SCHEMBL19758976 0.82 HTR2C (0.50) HTR2CHTR2BCTSCKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684727-A GPRP series peptide modified dabigatran derivative, synthesis, activity and application thereof 首都医科大学 2024-09-24 CN claimed
CN-118684727-A GPRP series peptide modified dabigatran derivative, synthesis, activity and application thereof 首都医科大学 2024-09-24 CN disclosed
US-5674905-A ADMINISTERING AS GASTRIN OR CHOLECYSTOKININ ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1997-10-07 US disclosed
EP-0655053-B1 BICYCLOOCTANE AND BICYCLOHEPTANE DERIVATIVES BLACK JAMES FOUNDATION (GB) 1997-09-03 EP disclosed
EP-0655053-A1 BICYCLOOCTANE AND BICYCLOHEPTANE DERIVATIVES. BLACK JAMES FOUNDATION (GB) 1995-05-31 EP disclosed
WO-1994000421-A1 BICYCLOOCTANE AND BICYCLOHEPTANE DERIVATIVES JAMES BLACK FOUNDATION LIMITED (GB) 1994-01-06 WO disclosed