SCHEMBL9764582

SCHEMBL9764582

COc1ccc2c(c1)C1CCN(C(C)c3ccccc3)C(C1)N2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
HTR1A P08908 2/20 0.37
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 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
Fumaric Acid SCHEMBL9549925 0.92 MEN1 (0.41) OPRM1OPRD1OPRK1OPRL1MTNR1A
Fumaric Acid SCHEMBL9549905 0.92 MEN1 (0.41) OPRM1OPRD1OPRK1OPRL1MTNR1A
SCHEMBL9550005 0.79 FDFT1 (0.37)
Fumaric Acid SCHEMBL9764009 0.78 MTNR1A (0.33) MTNR1AMTNR1B
Fumaric Acid SCHEMBL9764004 0.78 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL9549926 0.77 SIGMAR1 (0.47)
SCHEMBL9550050 0.76 HTR1A (0.44) HTR1ASLC6A4
SCHEMBL9550040 0.73 OPRK1 (0.38) OPRM1OPRD1OPRK1
SCHEMBL9549934 0.70 BCHE (0.42)
SCHEMBL9550070 0.65 HTR7 (0.35) OPRM1OPRD1OPRK1OPRL1MTNR1A

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-5010083-A Cognition activator; Alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1991-04-23 US claimed