SCHEMBL14376249

SCHEMBL14376249

CC(C)(N)c1ccc(N2CCN3CCC[C@H]3C2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.50
▸ HDAC1 Q13547 1/20 0.47
▸ HRH3 Q9Y5N1 4/20 0.46
▸ SMO Q99835 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ NMT1 P30419 1/20 0.40
▸ ADRA1A P35348 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38

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
SCHEMBL14349217 0.90 MAP4K4 (0.49) MAP4K4HDAC1HRH3KMT2ANMT1
SCHEMBL8281725 0.81 MAP4K4 (0.51) MAP4K4HDAC1HRH3NMT1ADRA1A
SCHEMBL11989568 0.79 MAP4K4 (0.45) MAP4K4HDAC1HRH3KMT2ANMT1
SCHEMBL11989565 0.79 MAP4K4 (0.45) MAP4K4HDAC1HRH3KMT2ANMT1
SCHEMBL23263993 0.79 MAP4K4 (0.51) MAP4K4HDAC1HRH3NMT1ADRA1A
SCHEMBL30294197 0.79 MAP4K4 (0.51) MAP4K4HDAC1HRH3NMT1ADRA1A
SCHEMBL14147068 0.78 MAP4K4 (0.48) MAP4K4HDAC1HRH3KMT2ANMT1
SCHEMBL14375965 0.78 MAP4K4 (0.48) MAP4K4HDAC1HRH3NMT1ADRA1A
SCHEMBL15247202 0.78 MAP4K4 (0.48) MAP4K4HDAC1HRH3KMT2ANMT1
SCHEMBL14349686 0.78 MAP4K4 (0.48) MAP4K4HDAC1HRH3KMT2ANMT1

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
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — US disclosed
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