SCHEMBL6930423

SCHEMBL6930423

COC(=O)c1ccc(N2CCN(C)CC2)c2c1OC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.43
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
WDR5 P61964 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6933310 0.89 HTR1A (0.38) HTR6ALDH1A1LMNAKDM4ETMEM97
SCHEMBL6820490 0.83 TMEM97 (0.36) HTR6ALDH1A1LMNAMEN1KMT2A
SCHEMBL8162682 0.82 DRD2 (0.35) HTR6MEN1KMT2ATMEM97SIGMAR1
SCHEMBL6816875 0.82 DRD2 (0.35) HTR6MEN1KMT2ATMEM97SIGMAR1
SCHEMBL6924865 0.82 BRPF1 (0.36) ALDH1A1LMNASMN1; SMN2HSP90AA1MAPT
SCHEMBL6816417 0.82 DRD2 (0.35) HTR6ALDH1A1LMNAMEN1KMT2A
SCHEMBL4830529 0.76 KCNH2 (0.44) TMEM97SIGMAR1
SCHEMBL4837491 0.76 KCNH2 (0.44) TMEM97SIGMAR1
SCHEMBL8064360 0.70 ALDH1A1 (0.38) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL4222382 0.69 DRD2 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025096-B1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 2003-11-26 EP disclosed
US-6387899-B1 ANTISEROTONINE AGENTS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2002-05-14 US disclosed
US-6384225-B1 5-PIPERIDINYL- OR PIPERAZINYL-SUBSTITUTED 3,4-DIHYDRO-2H-1-BENZOPYRANS ASTRAZENECA AB (SE) 2002-05-07 US disclosed