SCHEMBL14376046

SCHEMBL14376046

COc1ccc(CN2CCN(c3ccc(C(C)(C)C)cn3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.53
▸ SIGMAR1 Q99720 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PRKAA2 P54646 1/20 0.48
▸ PPARG P37231 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ RET P07949 1/20 0.46
▸ ME2 P23368 1/20 0.46
▸ ME1 P48163 1/20 0.46
▸ ME3 Q16798 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.45
▸ CHKA P35790 1/20 0.44

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
SCHEMBL14349471 0.89 PPARA (0.49) PPARASIGMAR1SMN1; SMN2LMNAPRKAA2
SCHEMBL26501811 0.81 PPARG (0.55) PPARASMN1; SMN2LMNAPPARGPPARD
SCHEMBL2744316 0.80 LMNA (0.47) PPARASMN1; SMN2LMNAPPARGPPARD
SCHEMBL8931727 0.80 SIGMAR1 (0.64) PPARASIGMAR1LMNARETRAB9A
SCHEMBL14349615 0.77 KDM4E (0.52) PPARASMN1; SMN2LMNAPPARGPPARD
SCHEMBL27739973 0.75 OPRM1 (0.68) PPARASMN1; SMN2LMNAPRKAA2PPARG
SCHEMBL19285228 0.75 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2LMNADRD2CHKA
SCHEMBL20804352 0.75 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2LMNADRD2CHKA
SCHEMBL1043952 0.75 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2LMNADRD2CHKA
SCHEMBL12412677 0.74 HSD11B1 (0.48) PPARASMN1; SMN2LMNAPPARGPPARD

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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