SCHEMBL26495374

SCHEMBL26495374

CC1(C)C[C@H]2CNC[C@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.47
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
APLNR P35414 1/20 0.32
FUCA1 P04066 4/20 0.32
GBA1 P04062 2/20 0.32
GLA P06280 2/20 0.32
GAA P10253 1/20 0.32
GLB1 P16278 1/20 0.32
CHRNA7 P36544 2/20 0.30

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
SCHEMBL22795906 0.77 CCR5 (0.42) CCR5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22695220 0.77 CCR5 (0.42) CCR5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20664448 0.77 CCR5 (0.42) CCR5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25164998 0.77 CCR5 (0.42) CCR5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25165362 0.77 CCR5 (0.42) CCR5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24162636 0.77 CCR5 (0.42) CCR5CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL22773673 0.75 CCR5 (0.40) CCR5CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL29596889 0.75 CCR5 (0.40) CCR5CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24623350 0.71 CCR5 (0.36) CCR5
SCHEMBL20788790 0.71 CCR5 (0.36) CCR5

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-2023072197-A1 PIPERIDINYL INDOLE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF HANSOH BIO LLC (US) 2023-05-04 WO disclosed