SCHEMBL10752091

SCHEMBL10752091

O=C(CCC1CCNCC1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
GMNN O75496 2/20 0.50
POLB P06746 2/20 0.50
BLM P54132 2/20 0.50
PMP22 Q01453 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CMKLR1 Q99788 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL10869872 0.79 FAAH (0.45) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10751640 0.79 FAAH (0.45) KMT2ALMNAMAPK1TP53TSHR
Hydrochloric Acid SCHEMBL1315280 0.79 HTR4 (0.53) ALDH1A1KMT2AKDM4ECHRNB2CHRNB4
SCHEMBL8287645 0.77 CHRM2 (0.48) ALDH1A1MAPTKMT2AHPGDKDM4E
SCHEMBL13543095 0.77 CHRM1 (0.62) ALDH1A1HTR4CNR2CHRM1CNR1
SCHEMBL11251566 0.76 KMT2A (0.68) MAPTKMT2ALMNAKDM4EMEN1
Hydrochloric Acid SCHEMBL3160698 0.76 CHRM2 (0.47) ALDH1A1MAPTKMT2AHPGDKDM4E
SCHEMBL9572993 0.76 SLC6A4 (0.59) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL10870850 0.75 KDM4E (0.53) ALDH1A1MAPTHPGDLMNAKDM4E
SCHEMBL10751917 0.75 SLC6A4 (0.53) ALDH1A1KMT2AHPGDKDM4EPTPN1

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-4665076-A ANTIARRHYTHMIA AGENTS RHONE-POULENC SANTE (FR) 1987-05-12 US claimed
US-4665076-A ANTIARRHYTHMIA AGENTS RHONE-POULENC SANTE (FR) 1987-05-12 US disclosed