SCHEMBL20032082

SCHEMBL20032082

CCC(Cc1ccccn1)NCCN(C)CCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 1/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
FDPS P14324 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CHRM2 P08172 4/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 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
SCHEMBL23278220 0.90 CYP2C19 (0.39) CYP2C19CYP2D6POLBTDP1KDM4E
SCHEMBL20661521 0.82 CYP2C19 (0.46) CYP2C19CYP2D6POLBTDP1KDM4E
SCHEMBL18158098 0.81 CHRM2 (0.43) CYP2C19CYP2D6TDP1KDM4ETSHR
SCHEMBL19214772 0.81 SIGMAR1 (0.34) CYP2C19HRH3ALDH1A1CYP1A2MAPT
SCHEMBL19214713 0.78 FDPS (0.43) CYP2C19CYP2D6POLBTDP1TSHR
SCHEMBL19214870 0.78 HRH1 (0.46) CYP2C19CYP2D6POLBTDP1TSHR
SCHEMBL19214714 0.77 FDPS (0.42) CYP2C19POLBTDP1FDPSHRH3
SCHEMBL20024601 0.75 CHRM2 (0.55) CYP2C19CYP2D6TDP1KDM4ETSHR
SCHEMBL19212970 0.75 KDM4E (0.46) CYP2C19CYP2D6POLBTDP1KDM4E
SCHEMBL20661492 0.75 NR1H2 (0.40) CYP2C19CYP2D6POLBTDP1KDM4E

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-10184052-B2 Near infrared radiation-absorbing composition, near infrared radiation cut-off filter and production method therefor, and camera module and production method therefor FUJIFILM CORPORATION (JP) 2019-01-22 US disclosed
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed