SCHEMBL24317286

SCHEMBL24317286

CCCN(CC)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
ACHE P22303 1/20 0.39
ADH1A P07327 2/20 0.38
CYP2D6 P10635 1/20 0.38
RORC P51449 3/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
SIGMAR1 Q99720 1/20 0.35
ADH1C P00326 1/20 0.35
ALOX5 P09917 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR1 P34998 1/20 0.34

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
SCHEMBL11886728 0.98 CYP1A2 (0.39) CYP1A2ACHEADH1ACYP2D6RORC
SCHEMBL16299333 0.93 OPRM1 (0.40) CYP1A2ACHEADH1ACYP2D6RORC
SCHEMBL26242405 0.91 CYP1A2 (0.44) CYP1A2ADH1ARORCDRD2DRD3
SCHEMBL10035081 0.89 DRD2 (0.40) CYP1A2CYP2D6RORCDRD2DRD3
SCHEMBL23718067 0.89 CYP1A2 (0.41) CYP1A2ADH1ARORCDRD2DRD3
SCHEMBL16256932 0.88 CYP1A2 (0.48) CYP1A2ACHECYP2D6SIGMAR1
SCHEMBL16559079 0.86 CYP1A2 (0.42) CYP1A2ACHEADH1ACYP2D6OPRM1
SCHEMBL12018411 0.86 CYP1A2 (0.42) CYP1A2ACHEADH1ACYP2D6OPRM1
SCHEMBL20900599 0.86 CYP1A2 (0.42) CYP1A2ACHEADH1ACYP2D6OPRM1
SCHEMBL26714515 0.86 CYP1A2 (0.42) CYP1A2ACHEADH1ACYP2D6OPRM1

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-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed