SCHEMBL7876980

SCHEMBL7876980

CC(C)(NCc1ncc[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.45
CYP19A1 P11511 3/20 0.44
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
FFAR2 O15552 1/20 0.36
HSD11B1 P28845 1/20 0.35
BRD4 O60885 1/20 0.35
FPR2 P25090 1/20 0.35
HTR1A P08908 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR2 P41597 1/20 0.33
TERT O14746 1/20 0.33

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
SCHEMBL9368177 0.83 NAMPT (0.43) TAAR1CYP19A1TERT
SCHEMBL9367836 0.82 TERT (0.41) TAAR1CYP19A1HSD11B1TERT
SCHEMBL9021042 0.80 TAAR1 (0.41) TAAR1CYP19A1NPSR1FFAR2HSD11B1
SCHEMBL8233905 0.77 TAAR1 (0.55) TAAR1KLK1KLK5BRD4FPR2
SCHEMBL2469427 0.76 TAAR1 (0.70) TAAR1CYP19A1KLK1KLK5FPR2
SCHEMBL9368125 0.75 CYP19A1 (0.41) TAAR1CYP19A1FFAR2HSD11B1FPR2
Hydrochloric Acid SCHEMBL11665461 0.70 TAAR1 (0.42) TAAR1CYP19A1HSD11B1HTR1A
SCHEMBL825299 0.69 TAAR1 (0.46) TAAR1KLK1KLK5BRD4FPR2
SCHEMBL8540182 0.69 TAAR1 (0.63) TAAR1KLK1KLK5MEN1KMT2A
SCHEMBL7868671 0.69 TAAR1 (0.43) TAAR1HTR1AMEN1KMT2ATERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed