SCHEMBL27969484

SCHEMBL27969484

CCCCc1cc2ccccc2n1N1CCN(C2CCCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
SIGMAR1 Q99720 5/20 0.42
TMEM97 Q5BJF2 1/20 0.42
OPRL1 P41146 6/20 0.40
OPRM1 P35372 5/20 0.40
OPRD1 P41143 5/20 0.40
OPRK1 P41145 5/20 0.40
OXER1 Q8TDS5 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
UBE2N P61088 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL27969494 0.82 ALDH1A1 (0.38) SMN1; SMN2
SCHEMBL28812775 0.76 MAPT (0.40) OXER1SMN1; SMN2
SCHEMBL28617610 0.75 ALDH1A1 (0.47) OPRL1OPRM1OPRD1OPRK1OXER1
SCHEMBL28613180 0.73 OPRM1 (0.48) OPRL1OPRM1OPRD1OPRK1OXER1
SCHEMBL27969497 0.73 DRD4 (0.43) OXER1SMN1; SMN2
SCHEMBL28623404 0.70 OPRM1 (0.48) OPRL1OPRM1OPRD1OPRK1OXER1
SCHEMBL28623424 0.67 OPRM1 (0.53) OPRL1OPRM1OPRD1OPRK1OXER1
SCHEMBL4672103 0.67 OXER1 (0.52) OXER1
SCHEMBL28047369 0.65 AGTR1 (0.51) OXER1SMN1; SMN2
SCHEMBL27745211 0.64 OXER1 (0.49) OXER1

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
CN-103833642-A Use of benzo five-membered azaheterocyclyl piperazine derivatives LIAONING BEILEI BIOLOG PHARMACEUTICAL CO LTD 2014-06-04 CN claimed