SCHEMBL9014847

SCHEMBL9014847

Cc1cc(C)c(C#N)c(N2CCN(CCCCOc3cnc4c(n3)CCCC4)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.55
KDM4E B2RXH2 8/20 0.55
TSHR P16473 3/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 10/20 0.51
HSD17B10 Q99714 7/20 0.51
RECQL P46063 2/20 0.51
POLB P06746 1/20 0.49
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KHK P50053 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9014880 0.82 HTR1A (0.39) HPGDKDM4ETSHRLMNAMAPT
SCHEMBL9014715 0.81 HTR1A (0.43)
SCHEMBL9014678 0.78 KCNH2 (0.40) L3MBTL1
SCHEMBL9014689 0.77 HTR1A (0.47)
SCHEMBL9014712 0.77 DRD2 (0.57) MAPTALDH1A1
SCHEMBL9014676 0.75 HTR1A (0.47)
SCHEMBL9014823 0.74 HRH3 (0.43)
SCHEMBL9014892 0.74 KCNH2 (0.56)
SCHEMBL9014893 0.73 HRH3 (0.50) KDM4EALDH1A1
SCHEMBL9014904 0.72 HRH3 (0.49) KDM4EALDH1A1

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-5578596-A TREATMENT OF SEROTONERGIC NEURON RELATED DISEASES, MOTION SICKNESS, ANXIXETY, DEPRESSION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1996-11-26 US disclosed
EP-0668276-A1 2-ALKOXY-5,6,7,8-TETRAHYDROQUINOXALINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-08-23 EP disclosed