SCHEMBL7983246

SCHEMBL7983246

c1ccc(N2CCN(c3nc4ccccc4n4cncc34)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
TSHR P16473 3/20 0.49
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
CREBBP Q92793 1/20 0.49
GRM2 Q14416 1/20 0.48
RAB9A P51151 1/20 0.48
LCK P06239 7/20 0.47
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
SORD Q00796 1/20 0.43

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
SCHEMBL8567570 0.83 HTR3E (0.67) MAPTTSHRHSD17B10KDM4EALDH1A1
SCHEMBL7970020 0.79 POLB (0.62) MAPTHSD17B10KDM4EPOLBHPGD
SCHEMBL7970011 0.77 HTR3E (0.72) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL15800694 0.71 PLD1 (0.73) MAPTTSHRHSD17B10KDM4EALDH1A1
SCHEMBL21353591 0.71
SCHEMBL29857922 0.71 PLD1 (0.73) MAPTTSHRHSD17B10KDM4EALDH1A1
SCHEMBL7306002 0.70 HTR1A (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1266147 0.68 PLD1 (0.63) MAPTTSHRHSD17B10KDM4EALDH1A1
SCHEMBL30734132 0.66 HRH4 (0.66) MAPTHSD17B10KDM4EALDH1A1LMNA
SCHEMBL22796403 0.66 HTR3E (0.68) MAPTKDM4EHPGDHTR3EHTR3B

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-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US claimed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed