SCHEMBL31401416

SCHEMBL31401416

COc1ccc(N2CCNCC2)cn1

nearest known ligand 0.88

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.88
CHRNA4 P43681 10/20 0.88
ADRB1 P08588 4/20 0.57
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
HTR3A P46098 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
CHRNB4 P30926 2/20 0.55
CHRNA3 P32297 2/20 0.55
OGA O60502 1/20 0.48
TGFBR1 P36897 1/20 0.48
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
RIOK2 Q9BVS4 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
SCHEMBL2617751 1.00 CHRNB2 (0.88) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL5230743 0.94 CHRNB2 (1.00) CHRNB2CHRNA4ADRB1HTR3EHTR3B
Trifluoroacetic Acid SCHEMBL26093287 0.87 CHRNB2 (0.68) CHRNB2CHRNA4ADRB1HTR3EHTR3B
Trifluoroacetic Acid SCHEMBL2119009 0.87 CHRNB2 (0.68) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL5312452 0.83 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3OGA
SCHEMBL3104376 0.83 CHRNB2 (0.63) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL9393877 0.81 CHRNB2 (0.79) CHRNB2CHRNA4HTR3ACHRNB4CHRNA3
SCHEMBL6884588 0.81 CHRNB2 (0.61) CHRNB2CHRNA4HTR3ACHRNB4CHRNA3
SCHEMBL3104417 0.80 CHRNB2 (0.60) CHRNB2CHRNA4ADRB1HTR3EHTR3B
SCHEMBL24921493 0.80 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3OGA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
WO-2025008058-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed