SCHEMBL18153740

SCHEMBL18153740

COc1ccc(CCN(O)C(=O)c2ccc3c(c2)CCC2(CCNC2)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.41
LPAR1 Q92633 2/20 0.35
LPAR5 Q9H1C0 2/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
C5AR1 P21730 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ABCB1 P08183 1/20 0.32
ABCC1 P33527 1/20 0.32

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
SCHEMBL18153773 0.91 MEN1 (0.39) OPRM1OPRD1MEN1KMT2AADRA2A
SCHEMBL18152170 0.87 MEN1 (0.39) OPRM1OPRD1MEN1KMT2AADRA2A
SCHEMBL18152144 0.82 OPRM1 (0.38) OPRM1OPRD1ADRA2A
SCHEMBL18152111 0.79 HSD17B2 (0.40) ALOX5OPRM1OPRD1MEN1KMT2A
SCHEMBL18152130 0.78 ALOX5 (0.38) ALOX5LPAR1LPAR5OPRM1OPRD1
SCHEMBL18144826 0.75 CHRNB2 (0.39) MEN1KMT2A
SCHEMBL18152186 0.74 CYP2D6 (0.38) OPRM1OPRD1MEN1KMT2A
SCHEMBL18165456 0.73 MAPT (0.43) MEN1KMT2A
SCHEMBL18153894 0.72 MEN1 (0.38) OPRM1OPRD1MEN1KMT2AADRA2A
SCHEMBL18153708 0.72 MEN1 (0.38) OPRM1OPRD1MEN1KMT2AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016168660-A1 3-SPIRO-7-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-10-20 WO claimed
WO-2016168660-A1 3-SPIRO-7-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-10-20 WO disclosed