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Sugi Predict / Compounds / SCHEMBL4668289

SCHEMBL4668289

SCHEMBL4668289

Cc1ccc2cccc(N3CC[C@@H](C(=O)N4CCCN(C5CCC5)CC4)C3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ HTR1A P08908 1/20 0.44
▸ HRH3 Q9Y5N1 8/20 0.42
▸ TSHR P16473 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39

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
SCHEMBL4666725 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HTR1AHRH3
SCHEMBL4668284 0.79 NOTUM (0.44) HRH3KDM2B
SCHEMBL4666723 0.79 NOTUM (0.44) HRH3KDM2B
SCHEMBL4669577 0.79 NOTUM (0.44) HRH3KDM2B
Hydrochloric Acid SCHEMBL4669559 0.78 NOTUM (0.43) HRH3KDM2B
Hydrochloric Acid SCHEMBL4668601 0.78 NOTUM (0.43) HRH3KDM2B
Hydrochloric Acid SCHEMBL5223187 0.78 NOTUM (0.43) HRH3KDM2B
SCHEMBL4689318 0.76 HRH3 (0.46) ALDH1A1KMT2AMEN1HTR1AHRH3
SCHEMBL4007691 0.73 HTR1A (0.57) KMT2AHTR1AHRH3TSHRPOLB
SCHEMBL5214065 0.73 HTR1A (0.54) HTR1AHRH3TSHRPOLB

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
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 — — EP claimed