SCHEMBL10409954

SCHEMBL10409954

CN(CCN1CCC(=C2c3ccccc3CCc3ccc(F)cc32)CC1)c1ncccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 5/20 0.48
▸ HRH1 P35367 10/20 0.46
▸ KCNH2 Q12809 3/20 0.46
▸ CHRM2 P08172 2/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ CHRM1 P11229 2/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ ADRA1A P35348 2/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ SETD7 Q8WTS6 1/20 0.45
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ LMNA P02545 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38

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
SCHEMBL10465366 0.91 PTAFR (0.42) PTAFRHRH1KCNH2CHRM2HTR1A
SCHEMBL10409037 0.87 SETD7 (0.48) PTAFRHRH1KCNH2CHRM2HTR1A
SCHEMBL10465365 0.81 PTAFR (0.48) PTAFRHRH1KCNH2CHRM2HTR1A
SCHEMBL10408879 0.78 SETD7 (0.51) PTAFRHRH1KCNH2CHRM2HTR1A
SCHEMBL10408986 0.78 SETD7 (0.58) HRH1KCNH2CHRM2HTR1ACHRM1
SCHEMBL11600653 0.77 PTAFR (0.52) PTAFRHRH1KCNH2CHRM2HTR1A
SCHEMBL10483114 0.76 PTAFR (0.37) PTAFRHRH1KCNH2CHRM2HTR1A
SCHEMBL10483111 0.76 PTAFR (0.37) PTAFRHRH1KCNH2CHRM2HTR1A
SCHEMBL10409034 0.72 SETD7 (0.61) HRH1KCNH2CHRM2HTR1ACHRM1
SCHEMBL10409038 0.67 SETD7 (0.45) PTAFRHRH1KCNH2CHRM2HTR1A

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
US-4929621-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS SYNTHELABO (FR) 1990-05-29 — — US disclosed
US-4891376-A MIGRAINE SYNTHELABO (FR) 1990-01-02 — — US disclosed
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