SCHEMBL7248938

SCHEMBL7248938

Cc1ccccc1N1CCNCC1.Cn1c(CCc2ccc(C#N)cc2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ GLP1R P43220 2/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ NTRK1 P04629 4/20 0.40
▸ NTRK2 Q16620 3/20 0.40
▸ ADRB1 P08588 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ SOS1 Q07889 1/20 0.37
▸ ITK Q08881 1/20 0.37

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 0.90 HTR2C (0.46) HTR2CF2GLP1RHDAC1HDAC8
SCHEMBL7250212 0.89 F2 (0.45) HTR2CF2HDAC1HDAC8NTRK1
SCHEMBL7255958 0.86 GLP1R (0.43) HTR2CF2GLP1RHDAC1HDAC8
SCHEMBL7250650 0.86 GLP1R (0.48) HTR2CF2GLP1RHDAC1HDAC8
SCHEMBL6486632 0.84 F2 (0.50) F2GLP1RHDAC1HDAC8NTRK1
Hydrochloric Acid SCHEMBL7244675 0.83 F2 (0.49) F2GLP1RHDAC1HDAC8NTRK1
SCHEMBL7249609 0.82 F2 (0.41) F2GLP1RHDAC1HDAC8NTRK1
SCHEMBL7248203 0.78 F2 (0.42) HTR2CF2HDAC1HDAC8NTRK1
SCHEMBL7244672 0.76 F2 (0.47) F2HDAC1HDAC8NTRK1NTRK2
SCHEMBL7250244 0.76 HTR2C (0.45) HTR2CF2HDAC1HDAC8HDAC6

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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