SCHEMBL7385705

SCHEMBL7385705

Cc1c(C(=O)CCCCCN2CC[CH]CC2)c2ccccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ HTR7 P34969 10/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ OPRK1 P41145 1/20 0.46

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
SCHEMBL7387785 0.80 KMT2A (0.50) KMT2AMEN1ALDH1A1
SCHEMBL7382672 0.79 CHRM1 (0.42) KMT2AMEN1HTR7ALDH1A1
SCHEMBL7391922 0.78 ALDH1A1 (0.48) KMT2AHTR7ALDH1A1
SCHEMBL7381582 0.78 LMNA (0.53) KMT2AHTR7ALDH1A1
SCHEMBL7387541 0.78 LMNA (0.53) KMT2AHTR7ALDH1A1
SCHEMBL7386994 0.76 LMNA (0.54) KMT2AHTR7ALDH1A1
SCHEMBL7393313 0.75 DRD2 (0.58) HTR7
SCHEMBL7388066 0.75 ALDH1A1 (0.50) KMT2AHTR7ALDH1A1
SCHEMBL7386508 0.74 MAPT (0.61) KMT2AHTR7ALDH1A1
SCHEMBL7390493 0.74 MAPT (0.61) KMT2AHTR7ALDH1A1

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
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 — — US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 — — EP disclosed
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