SCHEMBL9531644

SCHEMBL9531644

CCC1[CH]c2ccccc2CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
MAOB P27338 2/20 0.36
PDPK1 O15530 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
DRD2 P14416 1/20 0.35
SRD5A1 P18405 1/20 0.35
PLAU P00749 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
GRIN2B Q13224 1/20 0.33

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
SCHEMBL9532881 0.85 HTR1A (0.39) HTR1AMAOBPDPK1MTNR1AMTNR1B
SCHEMBL9531143 0.80 KDM4E (0.39) HTR1A
SCHEMBL15049696 0.74 MAOB (0.39) MAOBPDPK1MTNR1AMTNR1BDRD2
SCHEMBL3653493 0.74 PLAU (0.38) HTR1AMAOBPDPK1PLAUSIGMAR1
SCHEMBL18378200 0.69 PLAU (0.38) MAOBPDPK1PLAUGRIN2B
SCHEMBL18243384 0.69 PLAU (0.38) MAOBPDPK1SRD5A1PLAUGRIN2B
SCHEMBL17765413 0.69 PLAU (0.38) MAOBPDPK1PLAUGRIN2B
SCHEMBL9532783 0.69 DRD3 (0.39) HTR1ASIGMAR1
SCHEMBL7808997 0.69 MAOB (0.36) MAOBPDPK1DRD2PLAUSIGMAR1
SCHEMBL18243175 0.65 PLAU (0.34) MAOBPDPK1MTNR1AMTNR1BPLAU

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