SCHEMBL11811501

SCHEMBL11811501

Cc1ccc(CCCC2(O)CCN(CCCCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ DRD2 P14416 7/20 0.47
▸ HTR1A P08908 6/20 0.47
▸ HTR2A P28223 6/20 0.47
▸ HTR6 P50406 6/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ HTR7 P34969 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL11806115 0.91 KDM4E (0.56) MEN1KMT2AMAPTALDH1A1DRD2
SCHEMBL11813960 0.86 KDM4E (0.57) MEN1KMT2AMAPTALDH1A1DRD2
SCHEMBL11810045 0.85 KDM4E (0.59) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11630520 0.82 L3MBTL1 (0.44) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11836334 0.82 MEN1 (0.64) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11811153 0.79 DRD2 (0.53) MEN1KMT2AMAPTALDH1A1DRD2
SCHEMBL11812209 0.77 DRD2 (0.53) MEN1KMT2AALDH1A1HPGDDRD2
SCHEMBL11809762 0.76 HTR1A (0.54) MEN1KMT2AMAPTDRD2HTR1A
SCHEMBL11801300 0.75 HTR1A (0.64) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11630376 0.75 DRD2 (0.55) MEN1KMT2AMAPTALDH1A1DRD2

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-3935227-A ANTIDEPRESSANTS, ANTIANXIETY, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-01-27 — — US disclosed
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