SCHEMBL20000617

SCHEMBL20000617

c1cc(N2CCCC2)ncc1OC1CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.48
▸ GPR119 Q8TDV5 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ UBE2T Q9NPD8 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HRH3 Q9Y5N1 4/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ CNR2 P34972 3/20 0.41
▸ RET P07949 1/20 0.40

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
SCHEMBL30932113 0.97 ACACB (0.48) ACACBGPR119MAPTUBE2TALDH1A1
SCHEMBL19041966 0.86 CLK2 (0.46) ACACBGPR119HRH3
SCHEMBL23057533 0.81 ACACB (0.49) ACACBGPR119
SCHEMBL14650779 0.77 UBE2T (0.51) MAPTUBE2TALDH1A1LMNAALOX12
SCHEMBL27837554 0.76 UBE2T (0.50) MAPTUBE2TALDH1A1LMNAALOX12
SCHEMBL23057532 0.74 ACACB (0.49) ACACBGPR119
SCHEMBL28566122 0.74 ACACB (0.45) ACACBGPR119HRH3
SCHEMBL22666788 0.73 CHRM4 (0.50) ACACBGPR119HRH3RET
SCHEMBL12240393 0.72 CHRNA7 (0.50) MAPTUBE2TALDH1A1LMNAALOX12
SCHEMBL23044953 0.72 GPR119 (0.47) ACACBGPR119

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
EP-2997024-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 — — EP disclosed
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