SCHEMBL25840976

SCHEMBL25840976

CC1(C)CCN(C(=O)C2CCNCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.58
CHRNA3 P32297 2/20 0.58
CHRNA4 P43681 2/20 0.58
CHRNB3 Q05901 1/20 0.58
CHRNA6 Q15825 1/20 0.58
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
PLAT P00750 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL25810394 0.87 HPGD (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25190494 0.85 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL17809474 0.83 ALDH1A1 (0.57) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25810399 0.83 ALDH1A1 (0.63) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27109069 0.82 CHRNB2 (0.75) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16207607 0.82 CHRNB2 (0.58) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21078025 0.81 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25840964 0.81 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHSD11B1LMNA
SCHEMBL25840975 0.81 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1706180 0.81 CHRNB2 (0.87) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-2023116763-A1 PYRIDAZINE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海优理惠生医药有限公司 2023-06-29 WO disclosed