SCHEMBL11455751

SCHEMBL11455751

O=C(Oc1ccc2c(c1)CCN(C(=O)C1CC1)CC2)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.50
MTNR1B P49286 3/20 0.47
MTNR1A P48039 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KEAP1 Q14145 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 2/20 0.43
TSHR P16473 2/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ELANE P08246 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL11459464 0.95 HDAC6 (0.54) HDAC6MTNR1BMTNR1ASMN1; SMN2HTT
SCHEMBL11457061 0.84 MTNR1B (0.64) HDAC6MTNR1BMTNR1AALDH1A1HPGD
SCHEMBL27776760 0.82 KMT2A (0.58) SMN1; SMN2HTTKMT2ATDP1L3MBTL1
SCHEMBL373315 0.78 HRH3 (0.61) HDAC6MTNR1BMTNR1A
SCHEMBL8053648 0.75 KEAP1 (0.71) HDAC6SMN1; SMN2HTTKMT2AKEAP1
SCHEMBL974703 0.73 GPR119 (0.55) L3MBTL1HPGD
SCHEMBL3089467 0.73 HRH3 (0.72)
SCHEMBL15092199 0.72 KMT2A (0.51) SMN1; SMN2HTTKMT2ATDP1L3MBTL1
SCHEMBL4918460 0.71 HRH3 (0.55)
SCHEMBL6071051 0.71 HRH3 (0.72)

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
US-4233217-A USED AS ANALGESICS, NARCOTIC ANTAGONISTS, AND ANTIHISTAMINES PENNWALT CORPORATION (US) 1980-11-11 US disclosed
US-4210749-A USED AS ANALGESICS, NARCOTIC ANTAGONISTS PENNWALT CORPORATION (US) 1980-07-01 US disclosed