SCHEMBL7255958

SCHEMBL7255958

Cc1cccc(N2CCNCC2)c1.Cn1c(CCc2ccc(C#N)cc2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 3/20 0.43
▸ ADRB1 P08588 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ NTRK1 P04629 3/20 0.38
▸ NTRK2 Q16620 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ ACSL1 P33121 1/20 0.38

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
Phenylpiperazine SCHEMBL7248311 0.93 HTR2C (0.46) GLP1RHTR2CF2HDAC1HDAC6
SCHEMBL7249842 0.89 F2 (0.43) ADRB1HTR2CF2HDAC1HDAC6
SCHEMBL7248938 0.86 HTR2C (0.43) GLP1RADRB1HTR2CF2HDAC1
SCHEMBL7250650 0.84 GLP1R (0.48) GLP1RHTR2CF2HDAC1HDAC6
SCHEMBL6486632 0.84 F2 (0.50) GLP1RF2HDAC1HDAC6HDAC8
Hydrochloric Acid SCHEMBL7244675 0.83 F2 (0.49) GLP1RF2HDAC1HDAC6HDAC8
SCHEMBL7252575 0.80 THRB (0.44) ADRB1HTR2CF2HDAC1HDAC6
SCHEMBL7249812 0.79 PPARG (0.42) HTR2CF2HDAC1HDAC6HDAC8
SCHEMBL7249727 0.79 F2 (0.41) HTR2CF2HDAC1HDAC6HDAC8
SCHEMBL7250212 0.76 F2 (0.45) ADRB1HTR2CF2HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 — — US disclosed
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