SCHEMBL24153592

SCHEMBL24153592

O=C1C2CN(Cc3ccc4ccccc4c3)CCN2C(=O)CN1CC1=C2C[C@@H]2C=N1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ACHE P22303 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ CHKA P35790 1/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MGLL Q99685 1/20 0.35

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
SCHEMBL30336976 0.83 KMT2A (0.55) KMT2AHTR1AACHEPKMCHKA
SCHEMBL30337060 0.80 KMT2A (0.49) KMT2AHTR1AACHEPKMCHKA
SCHEMBL30337139 0.80 MCHR1 (0.42) KMT2AHTR1AACHEPKMCHKA
SCHEMBL26092261 0.80 KMT2A (0.41) KMT2AHTR1AACHEPKMCHKA
SCHEMBL30337129 0.79 KMT2A (0.46) KMT2AACHEPKM
SCHEMBL28980919 0.79 KMT2A (0.46) KMT2AACHEPKM
SCHEMBL30337305 0.78 HTR1A (0.43) KMT2AHTR1AACHEPKMCHKA
SCHEMBL30337511 0.76 KMT2A (0.43) KMT2AHTR1AACHEPKMFAAH
SCHEMBL30337582 0.72 SMN1; SMN2 (0.45) KMT2AHTR1AMCHR1POLB
SCHEMBL24145435 0.71 KMT2A (0.44) KMT2AACHEPKMCHKAMCHR1

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
WO-2021261969-A1 PREPARATION METHOD FOR NOVEL COMPOUND 홀로스메딕 주식회사 2021-12-30 — — WO disclosed
Send feedback