SCHEMBL10900427

SCHEMBL10900427

COC(=O)c1ccc(CC(C)N2CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.57
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ CYP4A11 Q02928 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CHKA P35790 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL10900510 0.85 OPRD1 (0.54) OPRD1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL28642400 0.80 UBE2M (0.43) LOXL2SLC6A2SLC6A4SLC6A3CYP4A11
SCHEMBL10899180 0.79 OPRD1 (0.56) OPRD1SLC6A2SLC6A4KMT2AOPRM1
SCHEMBL1978575 0.79 OPRD1 (0.69) OPRD1SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL26199219 0.79 OPRD1 (0.69) OPRD1SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL10899199 0.79 KMT2A (0.62) MEN1KMT2ACHKASMN1; SMN2MAPT
SCHEMBL3569140 0.77 CHKA (0.60) OPRD1MEN1KMT2ACHKASMN1; SMN2
Hydrochloric Acid SCHEMBL10900610 0.76 CHKA (0.59) OPRD1MEN1KMT2ACHKASMN1; SMN2
Hydrochloric Acid SCHEMBL19585072 0.76 CHKA (0.59) OPRD1MEN1KMT2ACHKASMN1; SMN2
SCHEMBL5038790 0.76 CHKA (0.59) OPRD1MEN1KMT2ACHKASMN1; SMN2

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-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 — — US disclosed
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