SCHEMBL21445231

SCHEMBL21445231

CSNCC1CCN(CC(O)CN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 19/20 0.75
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 1/20 0.48
MLNR O43193 1/20 0.48
USP1 O94782 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
ESR1 P03372 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
ABCB1 P08183 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CALM1 P0DP23 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CHRM1 P11229 1/20 0.48

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
SCHEMBL21445238 0.91 FPR2 (0.77) FPR2MEN1KMT2A
SCHEMBL21445204 0.86 FPR2 (0.85) FPR2MEN1KMT2ANPC1MLNR
SCHEMBL23039409 0.86 FPR2 (0.86) FPR2MEN1KMT2A
SCHEMBL30534412 0.86 FPR2 (0.76) FPR2MEN1KMT2A
SCHEMBL21445232 0.86 FPR2 (0.76) FPR2MEN1KMT2A
SCHEMBL21445202 0.85 FPR2 (1.00) FPR2MEN1KMT2A
SCHEMBL26002224 0.85 FPR2 (0.76) FPR2MEN1KMT2A
SCHEMBL26000540 0.85 FPR2 (0.72) FPR2MEN1KMT2ANPC1TP53
SCHEMBL21445282 0.85 FPR2 (0.75) FPR2MEN1KMT2A
SCHEMBL21445203 0.85 FPR2 (1.00) FPR2MEN1KMT2A

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
WO-2019195789-A1 PHENOTHIAZINE DERIVATIVES AND USES THEREOF CAMP4 THERAPEUTICS CORPORATION (US) 2019-10-10 WO disclosed