SCHEMBL29068162

SCHEMBL29068162

CC(=O)OCC[C@H]1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
EPHX1 P07099 1/20 0.41
SLC6A1 P30531 4/20 0.41
SLC6A11 P48066 3/20 0.41
SLC6A13 Q9NSD5 3/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A12 P48065 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
NAAA Q02083 1/20 0.39
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9732440 1.00 KMT2A (0.46) KMT2ACPN1CPB2EPHX1SLC6A1
SCHEMBL5237250 0.90 KMT2A (0.43) KMT2ACPN1CPB2EPHX1CHRNB2
SCHEMBL5234710 0.89 NAAA (0.44) KMT2ACPN1CPB2EPHX1CHRNB2
SCHEMBL1839983 0.88 NAAA (0.46) KMT2ACPN1CPB2EPHX1NAAA
SCHEMBL6050438 0.84 KMT2A (0.43) KMT2ACPN1CPB2EPHX1SLC6A1
SCHEMBL27271782 0.83 CHRNB2 (0.50) KMT2ACPN1CPB2EPHX1SLC6A1
SCHEMBL27271788 0.83 CHRNB2 (0.50) KMT2ACPN1CPB2EPHX1SLC6A1
SCHEMBL30223719 0.82 ALDH1A1 (0.40) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL5232032 0.81 CHRNB2 (0.41) KMT2ACPN1CPB2EPHX1SLC6A1
SCHEMBL5237332 0.81 CHRNB2 (0.41) KMT2ACPN1CPB2EPHX1SLC6A1

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
CN-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 CN disclosed