SCHEMBL8097369

SCHEMBL8097369

CCC1(CC)CC(C#N)(c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRD1 P41143 1/20 0.44
OPRL1 P41146 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8104825 0.79 OPRM1 (0.45) OPRM1OPRD1OPRL1CA12CA1
SCHEMBL13163320 0.74 OPRM1 (0.41) OPRM1OPRD1OPRL1CA12CA1
SCHEMBL432561 0.73 OPRM1 (0.59) OPRM1OPRD1OPRL1CA12CA1
SCHEMBL6891511 0.70 OPRM1 (0.69) OPRM1OPRD1OPRL1CA12CA1
SCHEMBL872608 0.70 OPRM1 (0.56) OPRM1OPRD1OPRL1CA12CA1
SCHEMBL7355415 0.70 OPRM1 (0.51) OPRM1OPRD1OPRL1CA12CA1
SCHEMBL56575 0.70 NPC1 (0.57) OPRM1OPRD1OPRL1CA12CA1
SCHEMBL8107113 0.69 OPRL1 (0.46) OPRM1OPRD1OPRL1CA12CA1
SCHEMBL181145 0.68 NPC1 (0.55) OPRM1OPRD1OPRL1CA12CA1
SCHEMBL19249603 0.68 NPC1 (0.55) OPRM1OPRD1OPRL1CA12CA1

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-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed