SCHEMBL22301802

SCHEMBL22301802

CCN1CCC(CCN2CCC3(CC2)CN(C)C3)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
TSHR P16473 1/20 0.35
GNAO1 P09471 2/20 0.35
SIGMAR1 Q99720 5/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAI1 P63096 1/20 0.33
EPHX1 P07099 1/20 0.32
HSD11B1 P28845 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL24475353 0.90 CYP1A2 (0.40) HRH3TSHRGNAO1SIGMAR1CYP1A2
SCHEMBL26705116 0.88 NCF1 (0.39) HRH3GNAO1SIGMAR1CYP1A2CYP2D6
SCHEMBL25090036 0.86 TSHR (0.37) HRH3TSHRGNAO1SIGMAR1CYP1A2
SCHEMBL27267884 0.85 ACHE (0.37) HRH3TSHRSIGMAR1EPHX1SMN1; SMN2
SCHEMBL22306420 0.83 TSHR (0.36) TSHRGNAO1SIGMAR1CYP1A2CYP2D6
SCHEMBL1753483 0.82 TSHR (0.46) TSHR
SCHEMBL22520648 0.80 HRH3 (0.44) HRH3GNAO1GNAI3GNAI1HSD11B1
SCHEMBL13061302 0.79 GNAO1 (0.42) HRH3GNAO1GNAI3GNAI1HSD11B1
SCHEMBL24754307 0.77 NCF1 (0.45) HRH3GNAO1GNAI3GNAI1HSD11B1
SCHEMBL7908231 0.77 CYP1A2 (0.46) HRH3GNAO1CYP1A2CYP2D6HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020160198-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
WO-2020160196-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
WO-2020160193-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed