SCHEMBL6986056

SCHEMBL6986056

COc1ccc2c(c1)CCC(C)(C)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
AR P10275 2/20 0.46
BCL2 P10415 1/20 0.45
ADRA2A P08913 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SNCA P37840 1/20 0.42
PDE7A Q13946 1/20 0.41
PKM P14618 1/20 0.41
PRNP P04156 1/20 0.41
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2B P18089 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL10841239 0.83 AR (0.40) ARALDH1A1
SCHEMBL10839954 0.83 KMT2A (0.47) ARALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL10841092 0.81 MAOA (0.46) AR
SCHEMBL8994250 0.78 PDE3B (0.59) PDE3BPDE3ABCL2SMN1; SMN2ALDH1A1
SCHEMBL5651931 0.77 AR (0.46) ARADRA2AALDH1A1HTR5A
SCHEMBL3378511 0.76 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1PKMCYP3A4CYP2C19
SCHEMBL10840954 0.76 AR (0.48) ARHTR5A
SCHEMBL5328438 0.76 AR (0.47) AR
SCHEMBL23618091 0.74 SMN1; SMN2 (0.44) PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL10841369 0.73 AR (0.46) AR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995743-B1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans SERVIER LAB (FR) 2003-04-02 EP claimed
EP-0995743-B1 Derivatives of dihydro- and tetrahydrochinoline as a medicinal antioxydans SERVIER LAB (FR) 2003-04-02 EP disclosed
EP-0198264-A2 Carbamoyl imidazoles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-22 EP disclosed