SCHEMBL11751306

SCHEMBL11751306

Cc1ccc2c(c1)C(=C1CCN(C)CC1)c1cc(SC(F)(F)F)ccc1C=C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 7/20 0.47
▸ CHRM2 P08172 3/20 0.47
▸ HTR1A P08908 3/20 0.47
▸ ADRA2A P08913 3/20 0.47
▸ CHRM1 P11229 3/20 0.47
▸ DRD1 P21728 3/20 0.47
▸ SLC6A2 P23975 3/20 0.47
▸ SLC6A4 P31645 3/20 0.47
▸ ADRA1A P35348 3/20 0.47
▸ DRD3 P35462 3/20 0.47
▸ SLC6A3 Q01959 3/20 0.47
▸ KCNH2 Q12809 3/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ TBXA2R P21731 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ OPRM1 P35372 2/20 0.47
▸ DRD2 P14416 2/20 0.47
▸ ADRA2B P18089 2/20 0.47
▸ ADRA2C P18825 2/20 0.47
▸ ADRA1D P25100 2/20 0.47

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
SCHEMBL11753343 0.88 SETD7 (0.47) SETD7CHRM2HTR1AADRA2ACHRM1
SCHEMBL11733579 0.88 SETD7 (0.64) SETD7CHRM2HTR1AADRA2ACHRM1
SCHEMBL11727471 0.84 SETD7 (0.36) SETD7CHRM2HTR1AADRA2ACHRM1
SCHEMBL11753249 0.78 SETD7 (0.55) SETD7CHRM2HTR1AADRA2ACHRM1
SCHEMBL11737418 0.74 SETD7 (0.45) SETD7CHRM2HTR1AADRA2ACHRM1
SCHEMBL11733673 0.74 SETD7 (0.48) SETD7CHRM2HTR1AADRA2ACHRM1
SCHEMBL11478334 0.74 SETD7 (0.50) SETD7CHRM2HTR1AADRA2ACHRM1
SCHEMBL11464514 0.74 SETD7 (0.50) SETD7CHRM2HTR1AADRA2ACHRM1
SCHEMBL11683965 0.73 SETD7 (0.65) SETD7CHRM2HTR1AADRA2ACHRM1
SCHEMBL11733293 0.71 SETD7 (0.34) SETD7OPRM1DRD2HTR2AHTR2C

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-4031223-A ANTIEXTRAPYRAMIDAL, ANTIPSYCHOTIC, ENANTIOMERS, TRANQUILIZERS, ANTICHOLINERGIC MERCK & CO., INC. (US) 1977-06-21 — — US disclosed
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