SCHEMBL24866010

SCHEMBL24866010

CN1CC2(CCN(CC3CCNCC3)CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.36
TSHR P16473 2/20 0.36
GNAO1 P09471 4/20 0.36
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
OPRM1 P35372 5/20 0.32
OPRL1 P41146 5/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
OPRK1 P41145 3/20 0.32
GNAI3 P08754 3/20 0.31
GNAI1 P63096 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL27344671 0.90 TSHR (0.34) TSHRGNAO1
SCHEMBL24480580 0.88 GNAO1 (0.34) GBA1GNAO1CACNA2D1CACNA1BCACNB1
SCHEMBL24481344 0.88 GBA1 (0.37) GBA1TSHRGNAO1CACNA2D1CACNA1B
SCHEMBL24940877 0.88 CHRM5 (0.39) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL24267132 0.87 GBA1 (0.36) GBA1TSHRGNAO1CACNA2D1CACNA1B
SCHEMBL24267397 0.85 GBA1 (0.36) GBA1TSHRGNAO1CACNA2D1CACNA1B
SCHEMBL22565121 0.84 NCF1 (0.41) CACNA2D1CACNA1BCACNB1CHRM5ADRA2C
SCHEMBL20317409 0.83 CHRM5 (0.34) GBA1TSHRGNAO1CACNA2D1CACNA1B
SCHEMBL30121551 0.81 GBA1 (0.39) GBA1TSHRGNAO1CACNA2D1CACNA1B
SCHEMBL24717358 0.80 CYP2D6 (0.36) GBA1TSHRALDH1A1CYP2C19KDM1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131167-A1 COMPOUND FOR INHIBITING AND DEGRADING IRAK4, AND PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 海思科医药集团股份有限公司 2023-07-13 WO disclosed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed
WO-2023009701-A1 2023-02-02 WO disclosed
WO-2023283263-A1 CITRATE SALT, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME FOGHORN THERAPEUTICS INC. (US) 2023-01-12 WO disclosed