SCHEMBL6589127

SCHEMBL6589127

Cc1cc(C2=CCNCC2)ccc1-c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
HTR2C P28335 9/20 0.49
QDPR P09417 3/20 0.47
KHK P50053 2/20 0.43
HTR6 P50406 2/20 0.42
HTR7 P34969 1/20 0.42
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTR2A P28223 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.39

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
SCHEMBL6584948 0.83 SIGMAR1 (0.65) SIGMAR1HTR2CQDPRKHKHTR6
SCHEMBL4670817 0.82 SIGMAR1 (0.57) SIGMAR1HTR2CQDPRKHKHTR6
SCHEMBL6586022 0.80 SIGMAR1 (0.52) SIGMAR1HTR2CQDPRHTR6HTR7
SCHEMBL16434840 0.79 HTR2C (0.57) SIGMAR1HTR2CQDPRKHKHTR6
SCHEMBL2269949 0.78 HTR2C (0.61) SIGMAR1HTR2CQDPRHTR6CCNT1
Hydrochloric Acid SCHEMBL3690362 0.78 HTR2C (0.61) SIGMAR1HTR2CQDPRHTR6CCNT1
Hydrochloric Acid SCHEMBL29882300 0.78 HTR2C (0.61) SIGMAR1HTR2CQDPRHTR6CCNT1
SCHEMBL3961889 0.78 SIGMAR1 (0.65) SIGMAR1HTR2CQDPRKHKHTR6
Hydrochloric Acid SCHEMBL16422718 0.77 HTR2C (0.58) SIGMAR1HTR2CQDPRKHKHTR6
SCHEMBL6162919 0.77 HTR2C (0.47) SIGMAR1HTR2CQDPRKHKHTR6

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