SCHEMBL7300502

SCHEMBL7300502

CCC1(CC)C[CH]c2ccccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
UBE2N P61088 1/20 0.37
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL9531727 0.86 MEN1 (0.35) TSHRMEN1KMT2ATP53MAPT
SCHEMBL9532960 0.81 TSHR (0.37) TSHRMEN1KMT2ATP53MAPT
SCHEMBL7297844 0.76 HTR2C (0.39) HTR2CCYP3A4
SCHEMBL1707125 0.75 MEN1 (0.40) TSHRMEN1KMT2ATP53MAPT
SCHEMBL9531180 0.74 MEN1 (0.34) TSHRMEN1KMT2ATP53MAPT
SCHEMBL7298872 0.73 KCNE1 (0.37) MEN1KMT2ACYP2D6CYP2C19CYP1A2
SCHEMBL7301451 0.73 HTR2C (0.39) HTR2C
SCHEMBL7294341 0.73
SCHEMBL7299445 0.72 ESPL1 (0.40) TSHRMEN1KMT2AMAPTCYP1A2
SCHEMBL9533644 0.71 HTR2C (0.40) TSHRMEN1KMT2ATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP disclosed
US-5260444-A Cardiovascular, hypotensive WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
US-5208245-A Hypotensive agents WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0460418-A2 Novel Dihydropyridine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed
US-4921955-A Process for the synthesis of 1-substituted imidazole-5-carboxylic acids and carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-01 US disclosed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP disclosed