SCHEMBL6983045

SCHEMBL6983045

N#Cc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)Cc2ccc(Br)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.53
DRD2 P14416 7/20 0.44
DRD3 P35462 7/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
FAAH O00519 1/20 0.42
F10 P00742 2/20 0.39
CCR3 P51677 1/20 0.38
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL6983037 1.00 RORC (0.53) RORCDRD2DRD3LMNAALDH1A1
SCHEMBL6983039 1.00 RORC (0.53) RORCDRD2DRD3LMNAALDH1A1
SCHEMBL6979303 0.83 F10 (0.49) RORCDRD2DRD3FAAHF10
SCHEMBL6979297 0.83 F10 (0.49) RORCDRD2DRD3FAAHF10
SCHEMBL6979292 0.83 F10 (0.49) RORCDRD2DRD3FAAHF10
SCHEMBL6985904 0.81 HRH3 (0.39) DRD2DRD3ALDH1A1HPGD
SCHEMBL6985908 0.81 HRH3 (0.39) DRD2DRD3ALDH1A1HPGD
SCHEMBL6985912 0.81 HRH3 (0.39) DRD2DRD3ALDH1A1HPGD
SCHEMBL6986034 0.80 F10 (0.51) RORCDRD2DRD3FAAHF10
SCHEMBL6986028 0.80 F10 (0.51) RORCDRD2DRD3FAAHF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934265-B1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-01-02 EP disclosed
US-6057342-A INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR XA, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICAL CO. (US) 2000-05-02 US disclosed
EP-0934265-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-08-11 EP disclosed
WO-1998006694-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1998-02-19 WO disclosed