SCHEMBL8140628

SCHEMBL8140628

CN(C)CCN(c1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.47
▸ MTNR1B P49286 3/20 0.47
▸ RXRA P19793 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ DAO P14920 1/20 0.43
▸ NAPRT Q6XQN6 1/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ SRD5A2 P31213 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL8140724 0.90 MTNR1A (0.45) MTNR1AMTNR1BRXRANPC1MEN1
SCHEMBL8137983 0.84 TSHR (0.53) MTNR1AMTNR1BNPC1MEN1KMT2A
SCHEMBL29265630 0.80 NPC1 (0.49) RXRANPC1MEN1KMT2APOLB
SCHEMBL5710105 0.79 ALOX5 (0.57) RXRANPC1MEN1KMT2ARAB9A
SCHEMBL20187701 0.78 TSHR (0.48) RXRANPC1MEN1KMT2APOLB
SCHEMBL1221272 0.77 TSHR (0.54) RXRANPC1MEN1KMT2APOLB
SCHEMBL4755619 0.77 TSHR (0.54) RXRANPC1MEN1KMT2APOLB
SCHEMBL7774965 0.77 HDAC1 (0.49) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL31003784 0.76 KMO (0.45) RXRAKMT2ASRD5A2
SCHEMBL652110 0.76 KMT2A (0.45) RXRANPC1MEN1KMT2APOLB

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-6069149-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS TERUMO KABUSHIKI KAISHA (JP) 2000-05-30 — — US disclosed
EP-0894797-A1 NOVEL AMIDE DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF TERUMO KABUSHIKI KAISHA (JP) 1999-02-03 — — EP disclosed
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