SCHEMBL29317324

SCHEMBL29317324

CN1CCC(N2CCC(CN3CCC4(CCN(I)CC4)CC3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.33
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL24480581 0.85 NCF1 (0.34) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL24480575 0.85 NCF1 (0.36) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL24480589 0.83 NCF1 (0.33) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL14996488 0.81 NCF1 (0.43) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL24480578 0.81 NCF1 (0.35) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL29317306 0.79 CACNA2D1 (0.34) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL24480840 0.79 L3MBTL3 (0.33) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL18898618 0.78 NCF1 (0.41) NCF1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL25924745 0.78 KMT2A (0.32)
SCHEMBL24204800 0.78 NCF1 (0.43) NCF1CACNA2D1CACNA1BCACNB1CACNA1C

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
EP-4397661-A1 COMPOUND FOR DEGRADATION OF BCL-2 FAMILY PROTEINS AND MEDICAL APPLICATION THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-07-10 EP disclosed