SCHEMBL10696619

SCHEMBL10696619

CC(C)C1(c2ccccc2OCCCCCBr)Cc2ccccc2N(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DRD2 P14416 8/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
NQO1 P15559 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL10693548 0.99 RAD52 (0.35) RAD52POLBHSD17B10DRD2HTT
SCHEMBL10694665 0.96 RAD52 (0.36) RAD52POLBHSD17B10DRD2HTT
SCHEMBL10690584 0.83 ALDH1A1 (0.36) RAD52POLBHSD17B10DRD2HTT
SCHEMBL10691597 0.81 ADRA1A (0.39) RAD52DRD2ALDH1A1DRD3ADRA1D
SCHEMBL10694109 0.81 POLB (0.35) POLBHSD17B10DRD2HTTALDH1A1
SCHEMBL10692186 0.80 BACE1 (0.35) HSD17B10DRD2HTTALDH1A1MAPT
SCHEMBL10691306 0.80 ALDH1A1 (0.41) RAD52POLBHSD17B10HTTALDH1A1
SCHEMBL10368985 0.79 RAD52 (0.41) RAD52HSD17B10DRD2HTTALDH1A1
SCHEMBL10692777 0.79 OPRL1 (0.35) POLBHSD17B10DRD2ALDH1A1DRD3
SCHEMBL10692789 0.79 BACE1 (0.37) POLBHSD17B10HTTALDH1A1SLC6A2

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
US-4778793-A CONTROLLING CALCIUM CONCENTRATION-CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-18 US disclosed