SCHEMBL24746474

SCHEMBL24746474

COCCOC1CN(c2ccc(C)nc2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.38
CHRNA4 P43681 4/20 0.38
ACVR1 Q04771 1/20 0.36
ACACB O00763 2/20 0.36
ELANE P08246 1/20 0.35
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB3 Q05901 1/20 0.35
LIPC P11150 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
RET P07949 1/20 0.34
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33

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
SCHEMBL24745829 0.84 PIK3CA (0.45) CHRNB2CHRNA4ACACBCHRNB4CHRNA3
SCHEMBL7039004 0.76 MAPT (0.40) ACACBPIK3CAMTORLIPCLIPG
SCHEMBL24746029 0.76 PIK3CA (0.44) CHRNB2CHRNA4CHRNB4CHRNA3PIK3CA
SCHEMBL7035423 0.73 RAD52 (0.47) ACACBPIK3CAMTORLIPCLIPG
SCHEMBL27854325 0.73 MAPT (0.50) CHRNB2CHRNA4ELANECHRNB4CHRNA3
SCHEMBL10154840 0.72 ELANE (0.44) CHRNB2CHRNA4ELANECHRNB4CHRNA3
SCHEMBL14845638 0.72 CHRNB2 (0.45) CHRNB2CHRNA4ELANECHRNB4CHRNA3
SCHEMBL4276668 0.71 CHRNB2 (0.38) CHRNB2CHRNA4ELANECHRNB4CHRNA3
SCHEMBL19297613 0.71 LIPG (0.46) ACACBPIK3CAMTORLIPCLIPG
SCHEMBL14845639 0.71 CHRNB2 (0.38) CHRNB2CHRNA4ELANECHRNB4CHRNA3

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-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed