SCHEMBL29335449

SCHEMBL29335449

C=C(C(C)C)N1CC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 6/20 0.42
▸ HSP90AA1 P07900 1/20 0.38
▸ CHRNA7 P36544 2/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TSHR P16473 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
SCHEMBL18927592 0.80 RIPK1 (0.56) RIPK1HSP90AA1CHRNA7CHRNB2CHRNB4
SCHEMBL18711396 0.72 POLB (0.61) RIPK1KMT2AMEN1POLBTSHR
SCHEMBL4657697 0.71 RIPK1 (0.47) RIPK1HSP90AA1KMT2AMEN1POLB
SCHEMBL4657693 0.71 RIPK1 (0.47) RIPK1HSP90AA1KMT2AMEN1POLB
SCHEMBL22300290 0.69 HRH3 (0.56) RAB9ATSHR
SCHEMBL18702108 0.68 RIPK1 (0.71) RIPK1POLB
SCHEMBL9102827 0.68 MEN1 (0.53) RIPK1KMT2AMEN1POLBTSHR
SCHEMBL7133590 0.67 RIPK1 (0.54) RIPK1CHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL25327358 0.67 RIPK1 (0.44) RIPK1HSP90AA1
SCHEMBL24133882 0.66 RIPK1 (0.41) RIPK1CHRNA7CHRNB2CHRNB4CHRNA3

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-2024064923-A9 COVALENT, CHEMOGENETIC ACTIVATORS FOR K2P POTASSIUM CHANNELS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-18 — — WO disclosed
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