SCHEMBL9532397

SCHEMBL9532397

CCC1(CC)[CH]c2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1B P35368 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PRNP P04156 1/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HTT P42858 1/20 0.32
MAOB P27338 2/20 0.31
HTR2A P28223 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
SCHEMBL9532066 0.83 ALOX12 (0.34) NPSR1KMT2AADRA2AADRA2BADRA2C
SCHEMBL9532323 0.82 MAOB (0.36) NPSR1KDM4EL3MBTL1MAOBHTR2A
SCHEMBL9530955 0.79 KMT2A (0.38) NPSR1KMT2AADRA2AADRA2BADRA2C
SCHEMBL15345381 0.74 HTR2A (0.37) NPSR1KMT2AADRA2AADRA2BADRA2C
SCHEMBL2581169 0.73 MAOB (0.33) KMT2ATSHRALDH1A1MAOBHTR2A
SCHEMBL9531388 0.72 ALOX12 (0.36) NPSR1KMT2AKDM4EGAAL3MBTL1
SCHEMBL29174116 0.71 MAOB (0.32) KMT2AKDM4EGAAALDH1A1MAOB
SCHEMBL9531785 0.71 SIGMAR1 (0.35) MAOB
SCHEMBL9533537 0.68 TSHR (0.31) TSHR
SCHEMBL10389872 0.68 CHRM2 (0.33) KMT2AADRA2AADRA2BADRA2CTSHR

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-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 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