SCHEMBL23139723

SCHEMBL23139723

C=C(CC(C)(C)C)N1CCCC(c2ccccc2)C1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.43
▸ CNR2 P34972 1/20 0.38
▸ UTS2R Q9UKP6 5/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ SLC18A3 Q16572 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
SCHEMBL18927575 0.82 RIPK1 (0.59) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL23123430 0.76 RIPK1 (0.50) RIPK1CNR2UTS2RHRH3
SCHEMBL24700138 0.74 RIPK1 (0.52) RIPK1CNR2LMNA
SCHEMBL4613765 0.73 RIPK1 (0.48) RIPK1CNR2UTS2RHRH3
SCHEMBL18927447 0.69 RIPK1 (0.44) RIPK1DPP4
SCHEMBL4392356 0.68 UTS2R (0.49) RIPK1UTS2R
SCHEMBL18573595 0.67 LMNA (0.55) LMNA
SCHEMBL18536645 0.67 ITGB1 (0.51) —
SCHEMBL18927573 0.67 RIPK1 (0.61) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL829416 0.67 RIPK1 (0.53) RIPK1UTS2RLMNA

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-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 — — WO disclosed
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