SCHEMBL7231972

SCHEMBL7231972

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(-c2ccc(Cl)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 4/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 2/20 0.46
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
IKBKB O14920 1/20 0.45
CHRNA7 P36544 6/20 0.44
HTR3E A5X5Y0 4/20 0.44
HTR3B O95264 4/20 0.44
HTR3A P46098 4/20 0.44
HTR3D Q70Z44 4/20 0.44
HTR3C Q8WXA8 4/20 0.44
MAPKAPK2 P49137 1/20 0.43
AKT1 P31749 2/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PRSS12 P56730 1/20 0.39

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
SCHEMBL7232673 0.89 MAPK11 (0.49) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL7224991 0.89 ESRRG (0.46) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL7223338 0.88 CHRNA7 (0.57) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL375517 0.88 CHRNA7 (0.57) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL7243634 0.88 CHRNA7 (0.42) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL7243631 0.88 CHRNA7 (0.42) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL7223964 0.88 CHRNA7 (0.42) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL7232519 0.87 MAPK11 (0.48) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL7224563 0.87 PTPN1 (0.49) ESRRGESR1ESR2PTPN1PTPN11
SCHEMBL7223923 0.87 PTPN11 (0.49) ESRRGESR1ESR2PTPN1PTPN11

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-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed