SCHEMBL30218134

SCHEMBL30218134

Clc1ccc2c(c1)CCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
HTR2B P41595 1/20 0.64
PNMT P11086 1/20 0.54
KDM1A O60341 3/20 0.47
ALDH1A1 P00352 2/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.41
HTT P42858 1/20 0.41
F7 P08709 1/20 0.39
PARP1 P09874 1/20 0.39
F3 P13726 1/20 0.39
PARP10 Q53GL7 1/20 0.39
TSHR P16473 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL5221227 1.00 HTR2A (0.64) HTR2AHTR2CHTR2BPNMTKDM1A
SCHEMBL29724224 0.95 HTR2A (0.64) HTR2AHTR2CHTR2BPNMTKDM1A
SCHEMBL5496769 0.95 HTR2A (0.64) HTR2AHTR2CHTR2BPNMTKDM1A
Hydrochloric Acid SCHEMBL27261560 0.92 HTR2A (0.61) HTR2AHTR2CHTR2BPNMTKDM1A
SCHEMBL15962624 0.89
SCHEMBL23188936 0.89 HTR2A (0.53) HTR2AHTR2CHTR2BPNMTKDM1A
Ammonia Solution, Strong SCHEMBL10465265 0.86 HTR2A (0.67) HTR2AHTR2CHTR2BPNMTKDM1A
SCHEMBL5143608 0.81 HTR2A (0.46) HTR2AHTR2CHTR2BPNMTKDM1A
SCHEMBL12430509 0.81 HTR2A (0.46) HTR2AHTR2CHTR2BPNMTKDM1A
SCHEMBL16559360 0.79 HTR2A (0.58) HTR2AHTR2CHTR2BPNMTKDM1A

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-4392410-A1 TRANSCRIPTION FACTOR BRN2 INHIBITORY COMPOUNDS FOR USE AS THERAPEUTICS The University of British Columbia (CA) 2024-07-03 EP disclosed
WO-2023023853-A1 TRANSCRIPTION FACTOR BRN2 INHIBITORY COMPOUNDS FOR USE AS THERAPEUTICS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-03-02 WO disclosed