SCHEMBL26157119

SCHEMBL26157119

CCCCN1CC=C(c2cnc(C)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.48
▸ DRD4 P21917 1/20 0.45
▸ HTR6 P50406 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PARP1 P09874 2/20 0.39
▸ HTR1A P08908 2/20 0.39

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
SCHEMBL26157118 0.80 LMNA (0.42) SIGMAR1HTR6ALDH1A1TSHRPARP1
SCHEMBL14601668 0.79 SIGMAR1 (0.60) SIGMAR1HTR1A
SCHEMBL11938943 0.77 SIGMAR1 (0.65) SIGMAR1HTR6HTR1A
SCHEMBL8575395 0.77 SIGMAR1 (0.62) SIGMAR1TDP1PARP1
SCHEMBL256663 0.75 SIGMAR1 (0.63) SIGMAR1PARP1HTR1A
SCHEMBL18936739 0.74 SIGMAR1 (0.66) SIGMAR1HTR6PARP1HTR1A
SCHEMBL18937726 0.73 SIGMAR1 (0.52) SIGMAR1HTR6PARP1
SCHEMBL26157120 0.73 HTR6 (0.44) SIGMAR1HTR6
SCHEMBL10254250 0.72 SIGMAR1 (0.52) SIGMAR1HTR6
SCHEMBL4237702 0.72 SIGMAR1 (0.54) SIGMAR1ALOX15TDP1HTR1A

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-2023093728-A1 BRM SELECTIVE DEGRADATION AGENT COMPOUND AND USE THEREOF 江苏先声药业有限公司 2023-06-01 — — WO disclosed
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