SCHEMBL6966945

SCHEMBL6966945

COc1ccccc1N1CCN(C(=O)Nc2cc3ccccc3nc2OC)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
RAB9A P51151 2/20 0.57
HTR1A P08908 2/20 0.56
HTR1D P28221 2/20 0.56
HTR1B P28222 2/20 0.56
GAA P10253 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR7 P34969 1/20 0.56
HTR6 P50406 1/20 0.56
RBP4 P02753 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
FAAH O00519 1/20 0.52
NPC1 O15118 1/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 1/20 0.51
USP2 O75604 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
SCHEMBL6954910 0.90 MAPT (0.53) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6962593 0.90 RBP4 (0.61) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6963523 0.90 MAPT (0.60) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6967897 0.89 KMT2A (0.49) MAPTRAB9AGAARBP4FAAH
SCHEMBL6966427 0.89 KMT2A (0.60) MAPTHTR1AHTR1DHTR1BHTR2C
SCHEMBL6961576 0.88 HTR1A (0.55) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6650534 0.88 PHGDH (0.59) MAPTRAB9AGAANPC1KDM4E
SCHEMBL7139727 0.87 RBP4 (0.46) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6965818 0.87 MAPT (0.58) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6674877 0.87 RAB9A (0.50) MAPTRAB9AHTR1AHTR1DHTR1B

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
EP-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed