SCHEMBL9886367

SCHEMBL9886367

Cc1cc(C(=O)N(C)[C@H](CN2CCC(N)CC2)C(C)C)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HTR7 P34969 1/20 0.35

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
SCHEMBL9100697 0.91 HRH3 (0.39) DRD4
SCHEMBL9103026 0.91 HRH3 (0.39) DRD4
SCHEMBL9100703 0.91 HRH3 (0.39) DRD4
SCHEMBL9102725 0.88 CHRM2 (0.41) SIGMAR1
SCHEMBL9102709 0.88 CHRM2 (0.41) SIGMAR1
SCHEMBL9103204 0.88 CHRM2 (0.39) SIGMAR1MAOAMAOB
SCHEMBL9103197 0.88 CHRM2 (0.39) SIGMAR1MAOAMAOB
SCHEMBL9105132 0.88 DRD4 (0.39) DRD4TMEM97SIGMAR1MEN1KMT2A
SCHEMBL9105136 0.88 DRD4 (0.39) DRD4TMEM97SIGMAR1MEN1KMT2A
SCHEMBL9100700 0.87 DRD4 (0.37) DRD4TMEM97SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
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