SCHEMBL6586022

SCHEMBL6586022

Cc1cc(C2=CCNCC2)ccc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
HTR2C P28335 9/20 0.51
QDPR P09417 3/20 0.45
HTR6 P50406 3/20 0.41
MAPT P10636 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR3A P46098 1/20 0.40
SOS1 Q07889 1/20 0.40

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
SCHEMBL2269930 0.88 SIGMAR1 (0.67) SIGMAR1HTR2CQDPRHTR6
Hydrochloric Acid SCHEMBL16423171 0.87 HTR2C (0.68) SIGMAR1HTR2CQDPRHTR6
SCHEMBL4670817 0.82 SIGMAR1 (0.57) SIGMAR1HTR2CQDPRHTR6HTR2A
SCHEMBL6589127 0.80 SIGMAR1 (0.50) SIGMAR1HTR2CQDPRHTR6MAPT
SCHEMBL6584948 0.79 SIGMAR1 (0.65) SIGMAR1HTR2CQDPRHTR6HTR2A
SCHEMBL16434840 0.77 HTR2C (0.57) SIGMAR1HTR2CQDPRHTR6HTR2A
SCHEMBL6584726 0.76 QDPR (0.46) SIGMAR1HTR2CQDPRHTR6MAPT
SCHEMBL6585457 0.76 HTR2C (0.76) SIGMAR1HTR2CQDPRSOS1
Hydrochloric Acid SCHEMBL16422718 0.76 HTR2C (0.58) SIGMAR1HTR2CQDPRHTR6HTR2A
SCHEMBL6162919 0.75 HTR2C (0.47) SIGMAR1HTR2CQDPRHTR6HTR2A

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-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed