SCHEMBL9757259

SCHEMBL9757259

CC(CCBr)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.52
RAD52 P43351 1/20 0.51
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 3/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.42
IGF1R P08069 1/20 0.42
GAA P10253 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
SCHEMBL9757317 0.84 RAD52 (0.54) HTR1ARAD52MAPTALDH1A1LMNA
SCHEMBL6961264 0.84 HTR1A (0.52) HTR1ARAD52MAPTALDH1A1LMNA
SCHEMBL6969236 0.81 RAD52 (0.57) HTR1ARAD52MAPTALDH1A1LMNA
SCHEMBL15434182 0.81 KDM4E (0.50) HTR1ARAD52MAPTALDH1A1LMNA
SCHEMBL12582119 0.78 MAPT (0.67) RAD52MAPTALDH1A1LMNAMAPK1
SCHEMBL6965551 0.77 KDM4E (0.53) HTR1ARAD52MAPTALDH1A1LMNA
SCHEMBL15434181 0.76 HTR1A (0.48) HTR1ARAD52MAPTALDH1A1LMNA
SCHEMBL7331424 0.74 MAPT (0.49) HTR1ARAD52MAPTALDH1A1LMNA
SCHEMBL10373626 0.73 MAPT (0.77) MAPTALDH1A1LMNAMAPK1HTT
SCHEMBL27457690 0.73 RAD52 (0.61) RAD52MAPTALDH1A1LMNAMAPK1

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
US-5036075-A Serotonin antagonists RHONE-POULENC SANTE (FR) 1991-07-30 US disclosed
US-5021420-A Antiserotonine agents; central nervous system, gastroin-testinal and cardiovascular disorders RHONE-POULENC SANTE (FR) 1991-06-04 US disclosed