SCHEMBL9532845

SCHEMBL9532845

CCCC1(CCC)[CH]c2ccccc2OC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL10389872 0.86 CHRM2 (0.33) CHRM2CHRM1CHRM3ABCG2ITGB2
SCHEMBL9536178 0.81 HTR1A (0.31) CHRM2CHRM1CHRM3
SCHEMBL9533561 0.74 HTR1A (0.33) CHRM2CHRM1CHRM3ABCG2ITGB2
SCHEMBL9532164 0.72 ABCG2 (0.36) CHRM2CHRM1CHRM3ABCG2ITGB2
SCHEMBL9531081 0.71 CHRM2 (0.31) CHRM2CHRM1CHRM3
SCHEMBL9532066 0.71 ALOX12 (0.34) KDM1AMAOAMAOB
SCHEMBL10390424 0.70 HTR1A (0.31) CHRM2CHRM1CHRM3
SCHEMBL22978927 0.69 ALOX5 (0.35) CHRM2CHRM1CHRM3ABCG2ITGB2
SCHEMBL9533854 0.68 ABCG2 (0.36) ABCG2ITGB2ICAM1ITGAL
SCHEMBL9531618 0.68 ABCG2 (0.32) CHRM2CHRM1CHRM3ABCG2ITGB2

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