SCHEMBL19590969

SCHEMBL19590969

CN1C(=O)c2c(ncn2CC(=O)NCC(C)(c2ccccc2)c2ccccc2)N(C)C1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ GFER P55789 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ MAPK1 P28482 4/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL21217570 0.77 MAPK1 (0.36) LMNATP53RAB9ARXFP1L3MBTL1
SCHEMBL21218064 0.75 RAB9A (0.44) SMN1; SMN2TP53TSHRRAB9ARXFP1
SCHEMBL21218027 0.75 ALDH1A1 (0.40) SMN1; SMN2TSHRRXFP1L3MBTL1MEN1
SCHEMBL22085071 0.74 SMN1; SMN2 (0.46) SMN1; SMN2TSHRRXFP1MEN1KMT2A
SCHEMBL23416897 0.74 CYP1A2 (0.42) LMNASMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL23416909 0.74 PORCN (0.58) TRPA1CYP2D6
SCHEMBL19626366 0.74 PORCN (0.42) TRPA1TRPV4
SCHEMBL23974592 0.73 TSHR (0.57) LMNASMN1; SMN2TSHRRXFP1KDM4E
SCHEMBL19590941 0.73 KMT2A (0.39) SMN1; SMN2L3MBTL1MEN1KMT2AKDM4E
SCHEMBL10114429 0.72 MAPK1 (0.63) LMNASMN1; SMN2TP53RXFP1L3MBTL1

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-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 — — US disclosed
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