SCHEMBL8200145

SCHEMBL8200145

CCN(c1nc(C)cc(-c2cccc(C(F)(F)F)c2)n1)C(C)CBr

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.60
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
KDM1A O60341 1/20 0.38
TLR8 Q9NR97 1/20 0.38
XDH P47989 1/20 0.37
KCNH2 Q12809 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
TRPV3 Q8NET8 1/20 0.37
KMO O15229 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL8212708 0.79 CRHR1 (0.59) CRHR1CTSK
SCHEMBL1358476 0.69 XDH (0.55) CRHR1CTSSCTSKKDM1ATLR8
SCHEMBL10827270 0.69 KDM1A (0.48) CRHR1CTSSCTSKKDM1AXDH
SCHEMBL2615262 0.66 CTSS (0.60) CTSSCTSKKDM1AXDHKMO
SCHEMBL1733738 0.65 KDM4E (0.70) CRHR1CTSSCTSKXDHKCNH2
SCHEMBL2559835 0.64 MGLL (0.51) CRHR1CTSSCTSKKDM1AXDH
SCHEMBL2405752 0.63 RECQL (0.60) CTSSKDM1AALDH1A1GAAKDM4E
SCHEMBL18678600 0.63 KDM1A (0.49) CTSSCTSKKDM1AXDHKMO
SCHEMBL2609334 0.63 CTSS (0.56) CTSSCTSKKDM1ATLR8XDH
SCHEMBL2614939 0.63 IDO1 (0.51) CTSSCTSKKDM1AXDHKMO

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
US-6103737-A Aryl- and arylamino- substituted heterocycles as corticotropin releasing hormone antagonists DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-15 US claimed
EP-0994860-A1 ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP claimed
WO-1999001439-A1 ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 WO claimed
US-6103737-A Aryl- and arylamino- substituted heterocycles as corticotropin releasing hormone antagonists DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-15 US disclosed
EP-0994860-A1 ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
WO-1999001439-A1 ARYL-AND ARYLAMINO-SUBSTITUTED HETEROCYCLES AS CORTICOTROPIN RELEASING HORMONE ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-01-14 WO disclosed