SCHEMBL29922352

SCHEMBL29922352

Nc1cccc(C2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.62
SLC18A3 Q16572 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
QDPR P09417 1/20 0.50
HTR6 P50406 1/20 0.48
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
PARP1 P09874 1/20 0.43
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL2264849 1.00 HTR2C (0.62) HTR2CSLC18A3SIGMAR1QDPRHTR6
Hydrochloric Acid SCHEMBL2947700 0.98 HTR2C (0.64) HTR2CSLC18A3SIGMAR1QDPRHTR6
SCHEMBL19973352 0.89 DRD2 (0.51) HTR2CSLC18A3SIGMAR1
SCHEMBL4343580 0.89 DRD2 (0.51) HTR2CSLC18A3SIGMAR1
SCHEMBL29411064 0.86 CYP3A4 (0.50) HTR2CDDB1CRBNCYP3A4CASP1
SCHEMBL273350 0.86 CYP3A4 (0.50) HTR2CDDB1CRBNCYP3A4CASP1
Hydrochloric Acid SCHEMBL25305777 0.84 CYP3A4 (0.48) HTR2CDDB1CRBNCYP3A4CASP1
Tert-Butyl Formate SCHEMBL28024457 0.83 HTR2C (0.49) HTR2CSLC18A3SIGMAR1QDPRHTR6
SCHEMBL18956824 0.82 HDAC4 (0.47) HTR2CDDB1CRBNCYP3A4CASP1
SCHEMBL16334825 0.82 HDAC4 (0.52) HTR2CDDB1CRBNCYP3A4CASP1

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
CN-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed