SCHEMBL7840973

SCHEMBL7840973

[CH2]CCN1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.66
OPRD1 P41143 1/20 0.63
OPRL1 P41146 3/20 0.59
ADRA1D P25100 5/20 0.53
ADRA1A P35348 5/20 0.53
ADRA1B P35368 4/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL8003190 0.85 OPRM1 (0.49) OPRM1OPRD1OPRL1
SCHEMBL7664626 0.84 OPRM1 (0.66) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL11602782 0.84 OPRM1 (0.66) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL10795357 0.84 OPRM1 (0.66) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL11602963 0.84 OPRM1 (0.70) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL8970808 0.83 OPRM1 (0.82) OPRM1OPRD1OPRL1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL11602803 0.83 OPRM1 (0.68) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL27796310 0.82 OPRM1 (0.71) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL6198369 0.82 OPRM1 (0.71) OPRM1OPRD1OPRL1ADRA1DADRA1A
SCHEMBL6891511 0.81 OPRM1 (0.69) OPRM1OPRD1OPRL1ADRA1DADRA1A

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
EP-1140876-A1 MORPHOLINONE AND MORPHOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-10-10 EP disclosed
WO-2000035891-A1 MORPHOLINONE AND MORPHOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-06-22 WO disclosed