SCHEMBL7412571

SCHEMBL7412571

CN(C)C1CCc2[nH]c3c(C(=O)N4CCN(c5ccccc5)CC4)cccc3c2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
TSHR P16473 3/20 0.46
USP2 O75604 2/20 0.46
KDM4E B2RXH2 2/20 0.45
HIF1A Q16665 1/20 0.45
GFER P55789 2/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
GPR55 Q9Y2T6 1/20 0.39
RECQL P46063 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7413088 0.87 JAK2 (0.42) ALDH1A1MEN1KMT2AUSP2KDM4E
SCHEMBL7408410 0.87 GFER (0.43) ALDH1A1TSHRKDM4EGFERHTT
SCHEMBL7411548 0.86 HRH3 (0.40) KMT2AGFERHSD17B10MAPK1
SCHEMBL7408368 0.82 MAPT (0.41) ALDH1A1MEN1KMT2ATSHRGFER
SCHEMBL7412289 0.82 GFER (0.45) TSHRGFERHSD17B10MAPK1
SCHEMBL7409117 0.81 GFER (0.59) KMT2AKDM4EGFERMAPTHSD17B10
Water SCHEMBL7414567 0.81 GFER (0.57) KMT2AKDM4EGFERMAPTHSD17B10
SCHEMBL7403774 0.79 DRD2 (0.42) ALDH1A1KDM4ELMNAHTTNPSR1
SCHEMBL7410680 0.78 ALOX15 (0.60) ALDH1A1MEN1KMT2AUSP2GFER
SCHEMBL7413250 0.78 GFER (0.45) GFERMAPTHSD17B10MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed