SCHEMBL7446377

SCHEMBL7446377

CCCCCCc1cc(Br)c2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 10/20 0.41
HRH1 P35367 9/20 0.41
PTGS2 P35354 2/20 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
SCHEMBL7435918 0.99 TRPV1 (0.48) TRPV1TDP1L3MBTL1KCNH2HRH1
SCHEMBL7449814 0.94 HRH1 (0.44) TRPV1KCNH2HRH1
SCHEMBL7442849 0.88 CCR1 (0.40) TRPV1TDP1L3MBTL1KCNH2HRH1
SCHEMBL11686678 0.83 TRPV1 (0.59) TRPV1L3MBTL1PTGS2
SCHEMBL1060220 0.82 CCR1 (0.42) TDP1L3MBTL1
SCHEMBL27513673 0.80 KDM4E (0.39) TDP1L3MBTL1
SCHEMBL31026581 0.80 CCR1 (0.53) TRPV1TDP1L3MBTL1KCNH2HRH1
SCHEMBL31026591 0.80 CCR1 (0.53) TRPV1TDP1L3MBTL1KCNH2HRH1
SCHEMBL7445586 0.80 PDE4A (0.53) TRPV1TDP1L3MBTL1
SCHEMBL7439316 0.78 PDE4A (0.54) TRPV1TDP1L3MBTL1

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-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed