SCHEMBL24975434

SCHEMBL24975434

O=Cc1ccc2cc(CN3CCN(C4CNC4)CC3)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
KMT2A Q03164 3/20 0.36
CHKA P35790 2/20 0.36
TRPV6 Q9H1D0 2/20 0.35
ACHE P22303 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 2/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
TSHR P16473 1/20 0.33
GRM2 Q14416 1/20 0.33
HTR6 P50406 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL31428496 0.86 HRH3 (0.38) HRH3KMT2ACHKATRPV6ACHE
SCHEMBL24977045 0.78 HRH3 (0.45) HRH3TSHRGRM2ALDH1A1
SCHEMBL31428722 0.78 HRH3 (0.45) HRH3TSHRGRM2ALDH1A1
SCHEMBL31428855 0.77 KMT2A (0.47) KMT2ACHKAMEN1GRM2KDM4E
SCHEMBL24975435 0.76 HRH3 (0.38) HRH3
SCHEMBL24975806 0.75 CHKA (0.38) KMT2ACHKAACHEPKMMEN1
SCHEMBL24976089 0.72 HSD11B1 (0.36) KDM4E
SCHEMBL31428837 0.68 HRH3 (0.45) HRH3KMT2ACHKATRPV6ACHE
SCHEMBL38659590 0.68 KDM4E (0.58) KMT2ATRPV6MEN1KDM4EALDH1A1
SCHEMBL12130365 0.67 CCR1 (0.42) KMT2AMEN1ALDH1A1

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-2023008577-A1 RAS/RAF BINDING INHIBITOR COMPOUND 国立大学法人神戸大学 2023-02-02 WO disclosed