SCHEMBL30380352

SCHEMBL30380352

CN1CCC(NC(=O)c2ccncn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.51
P2RX7 Q99572 1/20 0.49
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
SSTR4 P31391 3/20 0.46
CD38 P28907 5/20 0.46
SMYD3 Q9H7B4 2/20 0.45
ACKR3 P25106 2/20 0.45

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
SCHEMBL30338601 0.86 P2RX7 (0.51) TNKSP2RX7CD38ACKR3
SCHEMBL7019900 0.82 CD38 (0.57) TNKSP2RX7CD38ACKR3
SCHEMBL25053100 0.82 GRM5 (0.63) SSTR4SMYD3
SCHEMBL30363652 0.81 P2RX7 (0.53) TNKSP2RX7CD38SMYD3ACKR3
SCHEMBL30380003 0.81 CD38 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4SSTR4
SCHEMBL19132865 0.81 CD38 (0.61) TNKSP2RX7CD38SMYD3ACKR3
SCHEMBL5308759 0.80 P2RX7 (0.51) TNKSP2RX7CD38SMYD3ACKR3
SCHEMBL25417634 0.80 SMYD3 (0.55) TNKSP2RX7CD38SMYD3
SCHEMBL29998657 0.80 P2RX7 (0.51) TNKSP2RX7CD38SMYD3
SCHEMBL30336165 0.80 SMYD3 (0.55) TNKSP2RX7CD38SMYD3

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-4167982-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed