SCHEMBL7955813

SCHEMBL7955813

O=CN(CCCN1CCC(c2ccccc2)(c2ccccc2)CC1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.45
HTR7 P34969 2/20 0.45
ADRA1A P35348 3/20 0.42
HRH3 Q9Y5N1 1/20 0.39
HTR1A P08908 3/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
ADRA1B P35368 2/20 0.35
DRD4 P21917 1/20 0.35
HTR2B P41595 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 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
SCHEMBL9394292 0.80 HTR7 (0.48) OPRM1HTR7ADRA1AHRH3DRD2
SCHEMBL9396649 0.75 ADRA1D (0.43) OPRM1HTR7ADRA1AHRH3HTR1A
SCHEMBL11740559 0.70 ADRA1A (0.57) OPRM1HTR7ADRA1ASIGMAR1DRD4
SCHEMBL6859239 0.70 FFAR4 (0.46) OPRM1ADRA1A
SCHEMBL22660216 0.69 HDAC1 (0.43) ADRA1AHTR2AOPRK1ADRA2AADRA2B
SCHEMBL11744408 0.69 OPRM1 (0.56) OPRM1HTR7ADRA1ASIGMAR1DRD4
SCHEMBL6862763 0.69 HDAC1 (0.49)
SCHEMBL28337704 0.68 CYP2D6 (0.47) OPRM1ADRA1AHTR2AHTR2BOPRK1
SCHEMBL6195779 0.68 SIGMAR1 (0.57) OPRM1HTR7ADRA1ASIGMAR1DRD4
SCHEMBL11747588 0.68 OPRM1 (0.59) OPRM1HTR7ADRA1ASIGMAR1

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-6211198-B1 BENIGN PROSTATE HYPERPLASIA; INTRAOCULAR PRESSURE; HYPOTENSIVE AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-03 US disclosed