SCHEMBL25840964

SCHEMBL25840964

CC1(C)CCN(C(=O)C2CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
TSHR P16473 3/20 0.67
HSD11B1 P28845 8/20 0.59
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GRM5 P41594 1/20 0.50
CCR5 P51681 1/20 0.49
HSD11B2 P80365 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL25810399 0.98 ALDH1A1 (0.63) ALDH1A1TSHRHSD11B1LMNAHPGD
SCHEMBL17809474 0.94 ALDH1A1 (0.57) ALDH1A1TSHRHSD11B1LMNAHPGD
SCHEMBL25810394 0.90 HPGD (0.56) ALDH1A1TSHRHSD11B1LMNAHPGD
SCHEMBL17177147 0.85 GRM5 (0.59) ALDH1A1TSHRHSD11B1LMNAHPGD
SCHEMBL25503911 0.84 ALDH1A1 (0.60) ALDH1A1TSHRHSD11B1LMNAHPGD
SCHEMBL25843142 0.83 HTT (0.51) ALDH1A1TSHRHSD11B1LMNAHPGD
SCHEMBL25810405 0.81 TSHR (0.49) ALDH1A1TSHRLMNAHPGDSMN1; SMN2
SCHEMBL25840976 0.81 CHRNB2 (0.58) ALDH1A1TSHRHSD11B1LMNAHPGD
SCHEMBL10559542 0.81 ALDH1A1 (1.00) ALDH1A1TSHRHSD11B1LMNAHPGD
SCHEMBL7131881 0.81 ALDH1A1 (1.00) ALDH1A1TSHRHSD11B1LMNAHPGD

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