SCHEMBL3835050

SCHEMBL3835050

O=C(Oc1ccccc1Br)[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SCN4A P35499 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ DPP4 P27487 4/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ANPEP P15144 1/20 0.37
▸ CTSC P53634 1/20 0.36

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
SCHEMBL28081733 0.82 SCN4A (0.51) ELANEKMT2AHPGDSCN4ACYP3A4
SCHEMBL29256404 0.81 ELANE (0.42) ELANEKMT2ALMNAHPGDHTT
SCHEMBL2016284 0.78 DPP4 (0.49) ELANEKMT2AHTTSMN1; SMN2SCN4A
SCHEMBL4447785 0.78 DPP4 (0.49) ELANEKMT2AHTTSMN1; SMN2SCN4A
SCHEMBL23356900 0.78 DPP4 (0.49) ELANEKMT2AHTTSMN1; SMN2SCN4A
SCHEMBL7978485 0.78 SMN1; SMN2 (0.44) ELANEKMT2AHPGDHTTSMN1; SMN2
SCHEMBL4881023 0.78 CHRNB4 (0.39) ELANESCN4ACYP3A4CYP2D6CYP1A2
SCHEMBL3499943 0.78 SMN1; SMN2 (0.44) ELANEKMT2AHPGDHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL10521985 0.77 DPP4 (0.50) ELANEKMT2AHPGDHTTSMN1; SMN2
SCHEMBL29157407 0.77 SCN4A (0.35) ELANEHPGDSCN4ACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125870-A1 INHIBITORS OF HEPATITIS C NS3 PROTEASE Boehringer Ingelheim International GmbH (DE) 2009-12-02 — — EP disclosed
WO-2008098368-A1 INHIBITORS OF HEPATITIS C NS3 PROTEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 — — WO disclosed
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