SCHEMBL19986858

SCHEMBL19986858

Cc1ccc(SN2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.52
HTR1A P08908 13/20 0.49
HTR3A P46098 12/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CXCR4 P61073 1/20 0.40
HTR6 P50406 2/20 0.38
HTR2C P28335 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
BPTF Q12830 1/20 0.36

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
SCHEMBL18583232 0.81 HPGD (0.43) ALDH1A1NPC1RAB9A
SCHEMBL28206960 0.80 LTA4H (0.43) ADRB1HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL11766841 0.79 HTR1A (0.49) ADRB1HTR1AHTR3AHTR6HTR2C
SCHEMBL27377328 0.78 OPRM1 (0.43) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL24894095 0.76 SMN1; SMN2 (0.49) CYP1A2CYP2D6CYP2C9ALDH1A1RAB9A
SCHEMBL24529824 0.76 HTR3A (0.51) ADRB1HTR1AHTR3AALDH1A1HTR6
SCHEMBL17706151 0.75 ALOX5 (0.36) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL26242517 0.74 NPC1 (0.48) CYP1A2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL19478738 0.74 SMN1; SMN2 (0.47) CYP1A2CYP2D6CYP2C9ALDH1A1RAB9A
SCHEMBL19563446 0.74 HPGD (0.34) ADRB1HTR1AHTR3ACYP1A2CYP3A4

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
WO-2019198489-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED PRODUCT, INSULATING MATERIAL, RESIN MATERIAL FOR SOLDER RESISTS AND RESIST MEMBER DIC株式会社 2019-10-17 WO disclosed
EP-2937345-B1 TYPE II RAF KINASE INHIBITORS DANA FARBER CANCER INST INC (US) 2018-03-21 EP disclosed